file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,013,360 | 5.6959 | 0.0007 | 30.061 | 0.003 | 7.2017 | 0.0008 | 90 | null | 99.526 | 0.002 | 90 | null | 1,216.1 | 0.2 | 291 | 2 | 291 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 4,4'-Bis-(4-iodophenylaminomethyl)-azoxybenzene | - C26 H22 I2 N4 O - | - C26 H22 I2 N4 O - | - C52 H44 I4 N8 O2 - | 2 | 0.5 | SK1624 | Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. | 4,4'-Bis(4-iodophenylaminomethyl)azoxybenzene: hydrogen-bonded sheets built from C—H···O and C—H···π(arene) hydrogen bonds | Acta Crystallographica Section C | 2,003 | 59 | 4 | o207 | o209 | 10.1107/S0108270103005511 | 0.71073 | MoKα | 0.0909 | 0.065 | null | null | 0.1434 | 0.1555 | null | null | null | null | null | 1.129 | null | null | has coordinates,has Fobs | Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
4,4'-Bis(4-iodophenylaminomethyl)azoxybenzene: hydrogen-bonded sheets built from C—H···O and C—H···π(arene) hydrogen bonds
Acta Crystallographica Section C
59(4)
(2003)
o207-o209 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013360.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,361 | 13.5867 | 0.0006 | 7.8621 | 0.0002 | 13.9932 | 0.0006 | 90 | null | 90 | null | 90 | null | 1,494.75 | 0.1 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 4-Amino-2,6-dimethoxypyrimidine | - C6 H9 N3 O2 - | - C6 H9 N3 O2 - | - C48 H72 N24 O16 - | 8 | 1 | SK1625 | Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio | 4-Amino-2,6-dimethoxypyrimidine: hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(28) rings, reinforced by an aromatic π–π-stacking interaction | Acta Crystallographica Section C | 2,003 | 59 | 4 | o202 | o204 | 10.1107/S010827010300547X | 0.71073 | MoKα | 0.0945 | 0.047 | null | null | 0.1094 | 0.1253 | null | null | null | null | null | 1.05 | null | null | has coordinates,has Fobs | Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio
4-Amino-2,6-dimethoxypyrimidine: hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(28) rings, reinforced by an aromatic π–π-stacking interaction
Acta Crystallographica Section C
59(4)
(2003)
o202-o204 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013361.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,362 | 19.4182 | 0.001 | 6.942 | 0.001 | 9.0534 | 0.001 | 90 | null | 90 | null | 90 | null | 1,220.4 | 0.2 | 120 | 2 | 120 | 0.2 | null | null | null | null | 4 | P 21 21 2 | P 2 2ab | 18 | - C10 H13 N5 O6 - | - C10 H13 N5 O6 - | - C40 H52 N20 O24 - | 4 | 1 | SK1626 | Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher | <i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-glutamic acid: a three-dimensional framework structure built from O—H···O, N—H···O and O—H···N hydrogen bonds | Acta Crystallographica Section C | 2,003 | 59 | 4 | o210 | o212 | 10.1107/S0108270103005754 | 0.71073 | MoKα | 0.1357 | 0.0566 | null | null | 0.1235 | 0.1527 | null | null | null | null | null | 0.992 | null | null | has coordinates,has Fobs | Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher
<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-glutamic acid: a three-dimensional framework structure built from O—H···O, N—H···O and O—H···N hydrogen bonds
Acta Crystallographica Section C
59(4... | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013362.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,363 | 12.677 | 0.003 | 16.058 | 0.003 | 16.085 | 0.003 | 110.32 | 0.03 | 93.16 | 0.03 | 96.36 | 0.03 | 3,036.3 | 1.3 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C66 H66 P4 Ru Si2 - | - C66 H66 P4 Ru Si2 - | - C132 H132 P8 Ru2 Si4 - | 2 | 1 | SK1628 | Anderson, James N.; Brookes, Neil J.; Coe, Benjamin J.; Coles, Simon J.; Light, Mark E.; Hursthouse, Michael B. | <i>trans</i>-Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis[4-(trimethylsilyl)buta-1,3-diynyl]ruthenium(II) and <i>trans</i>-bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis(buta-1,3-diynyl)ruthenium(II) | Acta Crystallographica Section C | 2,003 | 59 | 6 | m215 | m217 | 10.1107/S0108270103007716 | 0.71073 | MoKα | null | 0.046 | null | null | null | 0.1216 | null | null | null | null | null | 1.033 | null | null | has coordinates,has Fobs | Anderson, James N.; Brookes, Neil J.; Coe, Benjamin J.; Coles, Simon J.; Light, Mark E.; Hursthouse, Michael B.
<i>trans</i>-Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis[4-(trimethylsilyl)buta-1,3-diynyl]ruthenium(II) and <i>trans</i>-bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis(bu... | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013363.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,364 | 11.9017 | 0.0002 | 13.2669 | 0.0003 | 17.1934 | 0.0004 | 79.416 | 0.001 | 76.195 | 0.001 | 64.499 | 0.002 | 2,369.38 | 0.09 | 120 | 2 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C60 H50 P4 Ru - | - C60 H50 P4 Ru - | - C120 H100 P8 Ru2 - | 2 | 1 | SK1628 | Anderson, James N.; Brookes, Neil J.; Coe, Benjamin J.; Coles, Simon J.; Light, Mark E.; Hursthouse, Michael B. | <i>trans</i>-Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis[4-(trimethylsilyl)buta-1,3-diynyl]ruthenium(II) and <i>trans</i>-bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis(buta-1,3-diynyl)ruthenium(II) | Acta Crystallographica Section C | 2,003 | 59 | 6 | m215 | m217 | 10.1107/S0108270103007716 | 0.71073 | MoKα | null | 0.0378 | null | null | null | 0.0914 | null | null | null | null | null | 0.941 | null | null | has coordinates,has Fobs | Anderson, James N.; Brookes, Neil J.; Coe, Benjamin J.; Coles, Simon J.; Light, Mark E.; Hursthouse, Michael B.
<i>trans</i>-Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis[4-(trimethylsilyl)buta-1,3-diynyl]ruthenium(II) and <i>trans</i>-bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis(bu... | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013364.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,365 | 12.8488 | 0.001 | 7.4416 | 0.001 | 16.962 | 0.002 | 90 | null | 113.728 | 0.008 | 90 | null | 1,484.7 | 0.3 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 6-Amino-2-(3,4-dimethoxybenzylamino)-3-methyl-5-nitroso-pyrimidin-4(3H)-one | - C14 H17 N5 O4 - | - C14 H17 N5 O4 - | - C56 H68 N20 O16 - | 4 | 1 | SK1629 | Abonia, Rodrigo; Glidewell, Christopher; Low, John N.; Nogueras, Manuel; Quiroga, Jairo | 6-Amino-2-(3,4-dimethoxybenzylamino)-3-methyl-5-nitrosopyrimidin-4(3<i>H</i>)-one: hydrogen-bonded sheets form interdigitated bilayers | Acta Crystallographica Section C | 2,003 | 59 | 5 | o237 | o239 | 10.1107/S0108270103006231 | 0.71073 | MoKα | 0.0668 | 0.0448 | null | null | 0.1067 | 0.1172 | null | null | null | null | null | 1.036 | null | null | has coordinates,has Fobs | Abonia, Rodrigo; Glidewell, Christopher; Low, John N.; Nogueras, Manuel; Quiroga, Jairo
6-Amino-2-(3,4-dimethoxybenzylamino)-3-methyl-5-nitrosopyrimidin-4(3<i>H</i>)-one: hydrogen-bonded sheets form interdigitated bilayers
Acta Crystallographica Section C
59(5)
(2003)
o237-o239 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013365.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,366 | 8.8183 | 0.0003 | 9.6999 | 0.0004 | 10.4089 | 0.0005 | 86.787 | 0.002 | 86.377 | 0.002 | 78.798 | 0.003 | 870.76 | 0.06 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 | P 1 | 1 | (R)-1-Phenylethylammonium 6-amino-5-nitropyrimidine-2,4(1H,3H)-dionate (R)-1-phenylethylamine hemisolvate | - C32 H41 N11 O8 - | - C32 H41 N11 O8 - | - C32 H41 N11 O8 - | 1 | 1 | SK1630 | Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio | (<i>R</i>)-1-Phenylethylammonium 6-amino-5-nitropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionate (<i>R</i>)-1-phenylethylamine hemisolvate: hydrogen-bonded sheets of ions with pendent solvent molecules | Acta Crystallographica Section C | 2,003 | 59 | 5 | o240 | o243 | 10.1107/S0108270103006383 | 0.71073 | MoKα | 0.0482 | 0.0444 | null | null | 0.1118 | 0.1153 | null | null | null | null | null | 1.007 | null | null | has coordinates,has Fobs | Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio
(<i>R</i>)-1-Phenylethylammonium 6-amino-5-nitropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionate (<i>R</i>)-1-phenylethylamine hemisolvate: hydrogen-bonded sheets of ions with pendent solvent molecules
Acta Crystallographica Section C
59(5)
(2003)
o240... | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013366.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,367 | 8.268 | 0.003 | 11.757 | 0.003 | 11.0253 | 0.0019 | 90 | null | 93.721 | 0.018 | 90 | null | 1,069.5 | 0.5 | 228 | 2 | 228 | 2 | null | null | null | null | 5 | P 1 n 1 | P -2yac | 7 | - C19 H30 Co N5 O4 - | - C19 H30 Co N5 O4 - | - C38 H60 Co2 N10 O8 - | 2 | 1 | SK1631 | Pickin, Kerry A.; Day, Cynthia S.; Wright, Marcus W.; Welker, Mark E. | <i>trans</i>-Bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(1-hexenyl)(pyridine-κ<i>N</i>)cobalt(III): a cobaloxime-substituted terminal alkene that rapidly isomerizes to a cobaloxime-substituted internal alkenyl complex | Acta Crystallographica Section C | 2,003 | 59 | 5 | m193 | m195 | 10.1107/S0108270103006899 | 0.71073 | MoKα | 0.0502 | 0.042 | null | null | 0.1007 | 0.1058 | null | null | null | null | null | 1.048 | null | null | has coordinates,has Fobs | Pickin, Kerry A.; Day, Cynthia S.; Wright, Marcus W.; Welker, Mark E.
<i>trans</i>-Bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(1-hexenyl)(pyridine-κ<i>N</i>)cobalt(III): a cobaloxime-substituted terminal alkene that rapidly isomerizes to a cobaloxime-substituted internal alkenyl complex
Acta Crystallographica Sectio... | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013367.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,368 | 9.0267 | 0.0001 | 20.0965 | 0.0003 | 8.0592 | 0.0001 | 90 | null | 116.033 | 0.0009 | 90 | null | 1,313.65 | 0.03 | 160 | 2 | 160 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 10-[1-(prop-2-enyl)]-1,8,10-trihydoxy-9(10H)-anthracenone | - C17 H14 O4 - | - C17 H14 O4 - | - C68 H56 O16 - | 4 | 1 | SK1634 | Thamotharan, S.; Parthasarathi, V.; Kumar, Subodh; Kumar, Vijay; Linden, Anthony | Hydrogen-bonded dimers of 1,8,10-trihydroxy-10-(prop-2-enyl)anthracen-9(10<i>H</i>)-one: <i>S</i>(6), <i>R</i>^<b>1</b>_<b>2</b>(10) and <i>R</i>^<b>2</b>_<b>2</b>(14) motifs | Acta Crystallographica Section C | 2,003 | 59 | 6 | o335 | o337 | 10.1107/S0108270103009223 | 0.71073 | MoKα | 0.065 | 0.047 | null | null | 0.1225 | 0.1352 | null | null | null | null | null | 1.051 | null | null | has coordinates,has Fobs | Thamotharan, S.; Parthasarathi, V.; Kumar, Subodh; Kumar, Vijay; Linden, Anthony
Hydrogen-bonded dimers of 1,8,10-trihydroxy-10-(prop-2-enyl)anthracen-9(10<i>H</i>)-one: <i>S</i>(6), <i>R</i>^<b>1</b>_<b>2</b>(10) and <i>R</i>^<b>2</b>_<b>2</b>(14) motifs
Acta Crystallographica Section C
59(6)
(2003)
o335-o337 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013368.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,369 | 8.6559 | 0.0009 | 9.3275 | 0.0009 | 10.1044 | 0.0012 | 113.379 | 0.005 | 108.908 | 0.004 | 100.345 | 0.004 | 662.32 | 0.13 | 150 | 1 | 150 | 1 | null | null | null | null | 4 | P 1 | P 1 | 1 | meso-5,5,7,12,12,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane (S)-malate(2-) methanol disolvate | - C22 H50 N4 O7 - | - C22 H50 N4 O7 - | - C22 H50 N4 O7 - | 1 | 1 | SK1635 | Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher | <i>meso</i>-5,5,7,12,12,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane (<i>S</i>)-malate(2–) methanol disolvate: a chain of rings generated by two pairs of N—H···O hydrogen bonds | Acta Crystallographica Section C | 2,003 | 59 | 6 | o329 | o331 | 10.1107/S010827010300920X | 0.71073 | MoKα | 0.1174 | 0.064 | null | null | 0.168 | 0.2015 | null | null | null | null | null | 1.033 | null | null | has coordinates,has disorder,has Fobs | Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
<i>meso</i>-5,5,7,12,12,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane (<i>S</i>)-malate(2–) methanol disolvate: a chain of rings generated by two pairs of N—H···O hydrogen bonds
Acta Crystallographica Section C
59(6)
(2003)
o329-o331 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013369.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,370 | 7.2451 | 0.0001 | 7.3772 | 0.0002 | 11.1339 | 0.0003 | 88.416 | 0.001 | 78.695 | 0.001 | 70.527 | 0.001 | 549.71 | 0.02 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Ammonium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate monohydrate | - C7 H14 N6 O5 - | - C7 H14 N6 O5 - | - C14 H28 N12 O10 - | 2 | 1 | SK1636 | Arranz Mascarós, Paloma; Cuesta Martos, Rafael; Glidewell, Christopher; Low, John N. | Ammonium <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate monohydrate forms hydrogen-bonded bilayers | Acta Crystallographica Section C | 2,003 | 59 | 6 | o326 | o328 | 10.1107/S0108270103009181 | 0.71073 | MoKα | 0.042 | 0.0378 | null | null | 0.1111 | 0.1176 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | Arranz Mascarós, Paloma; Cuesta Martos, Rafael; Glidewell, Christopher; Low, John N.
Ammonium <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate monohydrate forms hydrogen-bonded bilayers
Acta Crystallographica Section C
59(6)
(2003)
o326-o328 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013370.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,371 | 4.9634 | 0.0003 | 11.1829 | 0.0009 | 11.796 | 0.0008 | 90 | null | 102.665 | 0.004 | 90 | null | 638.81 | 0.08 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione | - C5 H6 N4 O3 - | - C5 H6 N4 O3 - | - C20 H24 N16 O12 - | 4 | 1 | SK1637 | Godino Salido, M. Luz; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher | 6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione forms a three-dimensional hydrogen-bonded framework structure | Acta Crystallographica Section C | 2,003 | 59 | 6 | o340 | o342 | 10.1107/S0108270103009302 | 0.71073 | MoKα | 0.0589 | 0.0447 | null | null | 0.1108 | 0.118 | null | null | null | null | null | 1.027 | null | null | has coordinates,has Fobs | Godino Salido, M. Luz; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher
6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione forms a three-dimensional hydrogen-bonded framework structure
Acta Crystallographica Section C
59(6)
(2003)
o340-o342 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013371.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,372 | 6.7594 | 0.0001 | 11.2513 | 0.0003 | 12.6048 | 0.0002 | 106.467 | 0.002 | 92.911 | 0.001 | 99.935 | 0.001 | 900.46 | 0.03 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Barium 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionate trihydrate | - C10 H16 Ba N8 O9 - | - C10 H16 Ba N8 O9 - | - C20 H32 Ba2 N16 O18 - | 2 | 1 | SK1638 | López Garzón, Rafael; Godino Salido, M. Luz; Low, John N.; Glidewell, Christopher | Barium bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionate] trihydrate: coordination polymer chains linked by hydrogen bonds | Acta Crystallographica Section C | 2,003 | 59 | 6 | m255 | m258 | 10.1107/S0108270103009703 | 0.71073 | MoKα | 0.0279 | 0.0269 | null | null | 0.0724 | 0.0728 | null | null | null | null | null | 1.149 | null | null | has coordinates,has Fobs | López Garzón, Rafael; Godino Salido, M. Luz; Low, John N.; Glidewell, Christopher
Barium bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionate] trihydrate: coordination polymer chains linked by hydrogen bonds
Acta Crystallographica Section C
59(6)
(2003)
m255-m258 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013372.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,373 | 7.834 | 0.002 | 9.408 | 0.002 | 20.532 | 0.004 | 90 | null | 97.75 | 0.02 | 90 | null | 1,499.4 | 0.6 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H14 Mn N2 O6 - | - C13 H14 Mn N2 O6 - | - C52 H56 Mn4 N8 O24 - | 4 | 1 | SQ1008 | Liang Shen | Diaqua(2,2'-bipyridine)malonatomanganese(II) | Acta Crystallographica Section C | 2,003 | 59 | 4 | m128 | m129 | 10.1107/S0108270103004244 | 0.71073 | MoKα | 0.0389 | 0.0311 | null | null | 0.0772 | 0.0797 | null | null | null | null | null | 1.061 | null | null | has coordinates,has Fobs | Liang Shen
Diaqua(2,2'-bipyridine)malonatomanganese(II)
Acta Crystallographica Section C
59(4)
(2003)
m128-m129 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013373.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,374 | 8.3288 | 0.0004 | 8.522 | 0.0004 | 9.3793 | 0.0005 | 81.387 | 0.002 | 69.135 | 0.002 | 64.589 | 0.002 | 561.88 | 0.05 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | catena-poly[[diaquamanganese(II)]-di-μ-1,1,3,3-tetracyano- 2-ethoxypropenido-κ^4^N^1^:N^3^] | - C18 H14 Mn N8 O4 - | - C18 H14 Mn N8 O4 - | - C18 H14 Mn N8 O4 - | 1 | 0.5 | SQ1009 | Schlueter, John A.; Geiser, Urs | <i>catena</i>-Poly[[diaquamanganese(II)]-di-μ-1,1,3,3-tetracyano-2-ethoxypropenido-κ^4^<i>N</i>^1^:<i>N</i>^3^] | Acta Crystallographica Section C | 2,003 | 59 | 4 | m146 | m148 | 10.1107/S0108270103004360 | 0.71073 | MoKα | 0.037 | 0.032 | null | null | 0.088 | 0.091 | null | null | null | null | null | 1.02 | null | null | has coordinates,has Fobs | Schlueter, John A.; Geiser, Urs
<i>catena</i>-Poly[[diaquamanganese(II)]-di-μ-1,1,3,3-tetracyano-2-ethoxypropenido-κ^4^<i>N</i>^1^:<i>N</i>^3^]
Acta Crystallographica Section C
59(4)
(2003)
m146-m148 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013374.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,375 | 5.903 | 0.002 | 9.495 | 0.004 | 11.63 | 0.006 | 90 | null | 96.09 | 0.02 | 90 | null | 648.2 | 0.5 | 150 | null | 150 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | nootkatone | - C15 H22 O - | - C15 H22 O - | - C30 H44 O2 - | 2 | 1 | SQ1013 | Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A. | The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative | Acta Crystallographica Section C | 2,003 | 59 | 5 | o254 | o256 | 10.1107/S010827010300684X | 0.71073 | MoKα | 0.068 | 0.041 | null | null | 0.085 | 0.098 | null | null | null | null | null | 1.06 | null | null | has coordinates,has Fobs | Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A.
The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative
Acta Crystallographica Section C
59(5)
(2003)
o254-o256 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013375.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,376 | 13.5 | 0.003 | 6.1403 | 0.001 | 18.909 | 0.005 | 90 | null | 92.145 | 0.007 | 90 | null | 1,566.3 | 0.6 | 100 | null | 100 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C15 H24 Br2 O - | - C15 H24 Br2 O - | - C60 H96 Br8 O4 - | 4 | 2 | SQ1013 | Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A. | The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative | Acta Crystallographica Section C | 2,003 | 59 | 5 | o254 | o256 | 10.1107/S010827010300684X | 0.71073 | MoKα | 0.081 | 0.053 | null | null | 0.086 | 0.095 | null | null | null | null | null | 1.101 | null | null | has coordinates,has Fobs | Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A.
The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative
Acta Crystallographica Section C
59(5)
(2003)
o254-o256 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013376.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,377 | 9.8698 | 0.0002 | 11.7941 | 0.0003 | 7.6686 | 0.0001 | 90 | null | 90 | null | 90 | null | 892.67 | 0.03 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n n m | -P 2 2n | 58 | - La2 Nb3 O8 S2 - | - La2 Nb3 O8 S2 - | - La8 Nb12 O32 S8 - | 4 | 0.5 | SQ1017 | Cario, Laurent; Kabbour, Houria; Guillot-Deudon, Catherine; Meerschaut, Alain | A mixed-valent niobium oxysulfide, La~2~Nb~3~S~2~O~8~ | Acta Crystallographica Section C | 2,003 | 59 | 6 | i55 | i56 | 10.1107/S0108270103009570 | 0.71073 | MoKα | 0.0323 | 0.0247 | null | null | 0.05 | 0.0522 | null | null | null | null | null | 1.077 | null | null | has coordinates,has Fobs | Cario, Laurent; Kabbour, Houria; Guillot-Deudon, Catherine; Meerschaut, Alain
A mixed-valent niobium oxysulfide, La~2~Nb~3~S~2~O~8~
Acta Crystallographica Section C
59(6)
(2003)
i55-i56 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013377.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,378 | 10.479 | 0.002 | 5.296 | 0.001 | 22.686 | 0.005 | 90 | null | 91.96 | 0.03 | 90 | null | 1,258.3 | 0.4 | 153 | 2 | 153 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Diaqua bis(dimethylsulfoxide-O) bis(3,5-dinitrobenzoato-O)zinc(II) | Bisaquabis(dimethylsulfoxide)bis(3,5-dinitrobenzoato)zinc(II) | - C18 H22 N4 O16 S2 Zn - | - C18 H22 N4 O16 S2 Zn - | - C36 H44 N8 O32 S4 Zn2 - | 2 | 0.5 | TA1404 | Miminoshvili, Elguja B.; Sobolev, Alexandre N.; Sakvarelidze, Tamara N.; Miminoshvili, Ketevan E.; Kutelia, Elguja R. | Diaquabis(dimethyl sulfoxide)bis(3,5-dinitrobenzoato)zinc(II) and the synthesis of the Cu, Ni and Co analogs | Acta Crystallographica Section C | 2,003 | 59 | 4 | m118 | m120 | 10.1107/S0108270103003779 | 0.71073 | MoKα | 0.0373 | 0.0266 | null | null | 0.0677 | 0.0707 | null | null | null | null | null | 1.006 | null | null | has coordinates,has Fobs | Miminoshvili, Elguja B.; Sobolev, Alexandre N.; Sakvarelidze, Tamara N.; Miminoshvili, Ketevan E.; Kutelia, Elguja R.
Diaquabis(dimethyl sulfoxide)bis(3,5-dinitrobenzoato)zinc(II) and the synthesis of the Cu, Ni and Co analogs
Acta Crystallographica Section C
59(4)
(2003)
m118-m120 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013378.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,379 | 11.9081 | 0.0018 | 6.4458 | 0.0007 | 13.996 | 0.003 | 90 | null | 111.44 | 0.016 | 90 | null | 1,000 | 0.3 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 1-Carbamoylguanidinium methylphosphonate hydrate | - C3 H13 N4 O5 P - | - C3 H13 N4 O5 P - | - C12 H52 N16 O20 P4 - | 4 | 1 | TR1047 | Brauer, David J.; Kottsieper, Konstantin W. | Hydrogen bonding in 1-carbamoylguanidinium methylphosphonate monohydrate | Acta Crystallographica Section C | 2,003 | 59 | 5 | o244 | o246 | 10.1107/S0108270103005857 | 0.71073 | MoKα | 0.064 | 0.0369 | null | null | 0.0791 | 0.0851 | null | null | null | null | null | 0.832 | null | null | has coordinates,has Fobs | Brauer, David J.; Kottsieper, Konstantin W.
Hydrogen bonding in 1-carbamoylguanidinium methylphosphonate monohydrate
Acta Crystallographica Section C
59(5)
(2003)
o244-o246 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013379.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,380 | 15.154 | 0.004 | 10.499 | 0.003 | 36.743 | 0.008 | 90 | null | 90 | null | 90 | null | 5,846 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | 2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane | - C28 H44 S6 - | - C28 H44 S6 - | - C224 H352 S48 - | 8 | 1 | TR1053 | Višnjevac, Aleksandar; Kojić-Prodić, Biserka; Vinković, Marijana; Mlinarić-Majerski, Kata | Dispiro[adamantane-2,2'-1',3',6',9',11',14'-hexathiacyclohexadecane-10',2''-adamantane] | Acta Crystallographica Section C | 2,003 | 59 | 6 | o314 | o316 | 10.1107/S0108270103008369 | 0.71069 | MoKα | null | 0.0629 | null | null | null | 0.2043 | null | null | null | null | null | 0.922 | null | null | has coordinates,has Fobs | Višnjevac, Aleksandar; Kojić-Prodić, Biserka; Vinković, Marijana; Mlinarić-Majerski, Kata
Dispiro[adamantane-2,2'-1',3',6',9',11',14'-hexathiacyclohexadecane-10',2''-adamantane]
Acta Crystallographica Section C
59(6)
(2003)
o314-o316 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013380.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,381 | 9.862 | 0.006 | 16.541 | 0.005 | 10.21 | 0.012 | 90 | null | 113.84 | 0.04 | 90 | null | 1,523 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 2/c 1 | -P 2yc | 13 | amminebis(1,4-diaminobutane)tetrakis[dicyanoargentato(I)]dicopper(II) dihydrate | - C16 H31 Ag4 Cu2 N13 O2 - | - C16 H31 Ag4 Cu2 N13 O2 - | - C32 H62 Ag8 Cu4 N26 O4 - | 2 | 0.5 | TR1059 | Potočňák, Ivan; Triščíková, Ľubica; Wagner, Christoph | Low-dimensional compounds containing cyano groups. VI. A unique two- and one-dimensional structure in amminebis(1,4-diaminobutane)tetrakis[dicyanoargentato(I)]dicopper(II) dihydrate | Acta Crystallographica Section C | 2,003 | 59 | 6 | m249 | m251 | 10.1107/S0108270103010151 | 0.71073 | MoKα | 0.058 | 0.0422 | null | null | 0.0998 | 0.1133 | null | null | null | null | null | 1.047 | null | null | has coordinates,has Fobs | Potočňák, Ivan; Triščíková, Ľubica; Wagner, Christoph
Low-dimensional compounds containing cyano groups. VI. A unique two- and one-dimensional structure in amminebis(1,4-diaminobutane)tetrakis[dicyanoargentato(I)]dicopper(II) dihydrate
Acta Crystallographica Section C
59(6)
(2003)
m249-m251 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013381.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,382 | 8.6026 | 0.0019 | 9.957 | 0.002 | 15.664 | 0.004 | 79.05 | 0.03 | 87.01 | 0.03 | 79.64 | 0.03 | 1,295.6 | 0.5 | 220 | 1 | 220 | 1 | null | null | null | null | 7 | P -1 | -P 1 | 2 | Bis(1,10-phenanthroline)(dicyanamido)copper(II) trifluoromethanesulfonate | - C27 H16 Cu F3 N7 O3 S - | - C27 H16 Cu F3 N7 O3 S - | - C54 H32 Cu2 F6 N14 O6 S2 - | 2 | 1 | TR1060 | Potočňák, Ivan; Burčák, Milan; Wagner, Christoph; Jäger, Lothar | Low-dimensional compounds containing cyano groups. VII. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) trifluoromethanesulfonate | Acta Crystallographica Section C | 2,003 | 59 | 6 | m252 | m254 | 10.1107/S0108270103010187 | 0.71069 | MoKα | 0.047 | 0.0354 | null | null | 0.0917 | 0.0999 | null | null | null | null | null | 1.057 | null | null | has coordinates,has Fobs | Potočňák, Ivan; Burčák, Milan; Wagner, Christoph; Jäger, Lothar
Low-dimensional compounds containing cyano groups. VII. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) trifluoromethanesulfonate
Acta Crystallographica Section C
59(6)
(2003)
m252-m254 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013382.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,383 | 12.097 | 0.003 | 7.021 | 0.002 | 15.425 | 0.004 | 90 | null | 96.645 | 0.005 | 90 | null | 1,301.3 | 0.6 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine | 3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine | - C10 H13 Cl2 N3 S2 - | - C10 H13 Cl2 N3 S2 - | - C40 H52 Cl8 N12 S8 - | 4 | 1 | TY1000 | Blake, Alexander J.; Hubberstey, Peter; Mackrell, Alexander D.; Wilson, Claire | 3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine and 3,6-bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine | Acta Crystallographica Section C | 2,003 | 59 | 6 | o293 | o297 | 10.1107/S0108270103007686 | 0.71073 | MoKα | 0.0497 | 0.0333 | null | null | 0.0811 | 0.0886 | null | null | null | null | null | 0.96 | null | null | has coordinates | Blake, Alexander J.; Hubberstey, Peter; Mackrell, Alexander D.; Wilson, Claire
3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine and 3,6-bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine
Acta Crystallographica Section C
59(6)
(2003)
o293-o297 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013383.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,384 | 8.0944 | 0.0008 | 13.9838 | 0.0014 | 30.482 | 0.003 | 90 | null | 92.292 | 0.002 | 90 | null | 3,447.5 | 0.6 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | I 1 2/a 1 | -I 2ya | 15 | 3,6-Bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine | 3,6-Bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine | - C16 H19 N7 S2 - | - C16 H19 N7 S2 - | - C128 H152 N56 S16 - | 8 | 1 | TY1000 | Blake, Alexander J.; Hubberstey, Peter; Mackrell, Alexander D.; Wilson, Claire | 3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine and 3,6-bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine | Acta Crystallographica Section C | 2,003 | 59 | 6 | o293 | o297 | 10.1107/S0108270103007686 | 0.71073 | MoKα | 0.083 | 0.04 | null | null | 0.0967 | 0.119 | null | null | null | null | null | 0.99 | null | null | has coordinates | Blake, Alexander J.; Hubberstey, Peter; Mackrell, Alexander D.; Wilson, Claire
3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine and 3,6-bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine
Acta Crystallographica Section C
59(6)
(2003)
o293-o297 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013384.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,385 | 7.8826 | 0.0004 | 8.0041 | 0.0004 | 8.2092 | 0.0005 | 65.505 | 0.0001 | 69.566 | 0.0001 | 69.037 | 0.0001 | 427.67 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2-(Hydroxymethyl)pyridinium dihydrogenphosphate | - C6 H10 N O5 P - | - C6 H10 N O5 P - | - C12 H20 N2 O10 P2 - | 2 | 1 | AV1139 | Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A. | 2-(Hydroxymethyl)pyridinium dihydrogenphosphate | Acta Crystallographica Section C | 2,003 | 59 | 7 | o378 | o380 | 10.1107/S0108270103011077 | 0.71073 | MoKα | 0.0425 | 0.0386 | null | null | 0.1123 | 0.1152 | null | null | null | null | null | 1.079 | null | null | has coordinates,has Fobs | Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.
2-(Hydroxymethyl)pyridinium dihydrogenphosphate
Acta Crystallographica Section C
59(7)
(2003)
o378-o380 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013385.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,386 | 15.07 | 0.003 | 6.4292 | 0.0012 | 9.8694 | 0.0018 | 90 | null | 90 | null | 90 | null | 956.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P c a 21 | P 2c -2ac | 29 | - C8 H13 N5 - | - C8 H13 N5 - | - C32 H52 N20 - | 4 | 1 | AV1140 | Lyakhov, Alexander S.; Voitekhovich, Sergey V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S. | Non-linear optical crystals of 2,2,3-trimethyl-3-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)butanenitrile | Acta Crystallographica Section C | 2,003 | 59 | 7 | o388 | o389 | 10.1107/S0108270103011387 | 0.71073 | MoKα | 0.0412 | 0.0367 | null | null | 0.1027 | 0.1076 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Lyakhov, Alexander S.; Voitekhovich, Sergey V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.
Non-linear optical crystals of 2,2,3-trimethyl-3-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)butanenitrile
Acta Crystallographica Section C
59(7)
(2003)
o388-o389 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013386.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,387 | 14.316 | 0.002 | 7.7313 | 0.0011 | 17.678 | 0.003 | 90 | null | 112.43 | null | 90 | null | 1,808.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 17β-Ethoxy-3-methoxy-8-isoestra-1,3,5(10)-triene | - C21 H30 O2 - | - C21 H30 O2 - | - C84 H120 O8 - | 4 | 1 | AV1142 | Starova, Galina Leonidovna; Egorov, Maxim Sergeevitch; Vasiljeva, Evgenija Sergeevna; Shavva, Alexandr Grigorievitch | 17β-Ethoxy-3-methoxy-8-isoestra-1,3,5(10)-triene | Acta Crystallographica Section C | 2,003 | 59 | 8 | o451 | o453 | 10.1107/S0108270103013775 | 0.71073 | MoKα | 0.1961 | 0.0463 | null | null | 0.0728 | 0.0958 | null | null | null | null | null | 0.759 | null | null | has coordinates,has Fobs | Starova, Galina Leonidovna; Egorov, Maxim Sergeevitch; Vasiljeva, Evgenija Sergeevna; Shavva, Alexandr Grigorievitch
17β-Ethoxy-3-methoxy-8-isoestra-1,3,5(10)-triene
Acta Crystallographica Section C
59(8)
(2003)
o451-o453 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013387.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,388 | 32.2 | 0.004 | 15.993 | 0.002 | 18.415 | 0.002 | 90 | null | 105.228 | 0.002 | 90 | null | 9,150.3 | 1.9 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | C 1 2/m 1 | -C 2y | 12 | - As4 H95 N9 O95 W17 Zr2 - | - As4 N9 O95 W17 Zr2 - | - As16 N36 O380 W68 Zr8 - | 4 | 0.5 | BC1008 | Gaunt, Andrew J.; May, Iain; Collison, David; Helliwell, Madeleine | A novel zirconium polyoxometalate compound: (NH~4~)~9~[Zr~2~(μ-OH)(H~2~O)~2~(AsOH)~2~(AsW~7~O~28~)(AsW~10~O~36~)]·26H~2~O | Acta Crystallographica Section C | 2,003 | 59 | 7 | i65 | i66 | 10.1107/S0108270103006358 | 0.71073 | MoKα | 0.0512 | 0.0358 | null | null | 0.0788 | 0.0846 | null | null | null | null | null | 1.025 | null | null | has coordinates,has Fobs | Gaunt, Andrew J.; May, Iain; Collison, David; Helliwell, Madeleine
A novel zirconium polyoxometalate compound: (NH~4~)~9~[Zr~2~(μ-OH)(H~2~O)~2~(AsOH)~2~(AsW~7~O~28~)(AsW~10~O~36~)]·26H~2~O
Acta Crystallographica Section C
59(7)
(2003)
i65-i66 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013388.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,389 | 22.633 | 0.003 | 22.633 | 0.003 | 4.0252 | 0.0008 | 90 | null | 90 | null | 90 | null | 2,061.9 | 0.6 | 293 | null | null | null | null | null | null | null | 4 | I 4/m | -I 4 | 87 | Lanthanum titanium oxysulfide | hexadecalanthanum pentatitanium heptadecasulfide heptadecaoxide | - La16 O17 S17.75 Ti5 - | - La16 O17 S17.75 Ti5 - | - La32 O34 S35.5 Ti10 - | 2 | 0.125 | BC1010 | Meignen, Vincent; Lafond, Alain; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain | A new lanthanum titanium oxysulfide, La~16~Ti~5~S~17+<i>x~</i>O~17~, with <i>x</i>=0.75(9) | Acta Crystallographica Section C | 2,003 | 59 | 7 | i63 | i64 | 10.1107/S0108270103010552 | 0.71069 | MoKα | 0.0298 | 0.0234 | null | null | 0.0314 | 0.0323 | null | null | null | null | null | 1.11 | null | null | has coordinates | Meignen, Vincent; Lafond, Alain; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain
A new lanthanum titanium oxysulfide, La~16~Ti~5~S~17+<i>x~</i>O~17~, with <i>x</i>=0.75(9)
Acta Crystallographica Section C
59(7)
(2003)
i63-i64 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013389.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,390 | 14.807 | 0.001 | 9.5404 | 0.0019 | 10.394 | 0.001 | 90 | null | 134.12 | 0.02 | 90 | null | 1,054.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | gismondine-type lithium potassium aluminogermanate | lithium potassium dialuminum digermanium octaoxide dihydrate | - Al Ge H2 K0.5 Li0.5 O5 - | - Al Ge K0.49 Li0.5 O5 - | - Al8 Ge8 K3.92 Li4 O40 - | 8 | 1 | BC1016 | Celestian, Aaron J.; Parise, John B.; Tripathi, Akhilesh; Kvick, Åke; Vaughan, Gavin M.B. | (K~4~Li~4~)Al~8~Ge~8~O~32~·8H~2~O: an Li^±exchanged potassium aluminogermanate with the zeolite gismondine (GIS) topology | Acta Crystallographica Section C | 2,003 | 59 | 8 | i74 | i76 | 10.1107/S0108270103011739 | 0.51641 | Synchrotron | 0.0337 | 0.0327 | null | null | 0.0758 | 0.0761 | null | null | null | null | null | 1.069 | null | null | has coordinates,has Fobs | Celestian, Aaron J.; Parise, John B.; Tripathi, Akhilesh; Kvick, Åke; Vaughan, Gavin M.B.
(K~4~Li~4~)Al~8~Ge~8~O~32~·8H~2~O: an Li^±exchanged potassium aluminogermanate with the zeolite gismondine (GIS) topology
Acta Crystallographica Section C
59(8)
(2003)
i74-i76 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013390.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,391 | 10.0308 | 0.0014 | 10.0308 | 0.0014 | 10.0308 | 0.0014 | 90 | null | 90 | null | 90 | null | 1,009.3 | 0.2 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | F -4 3 m | F -4 2 3 | 216 | cesium magnesium phosphate hydrate | cesium hexaaquamagnesium phosphate | - Cs H12 Mg O10 P - | - Cs H12 Mg O10 P - | - Cs4 H48 Mg4 O40 P4 - | 4 | 0.041667 | BC1018 | Massa, Werner; Yakubovich, Olga V.; Dimitrova, Olga V. | A new cubic form of caesium hexaaquamagnesium phosphate, Cs[Mg(H~2~O)~6~](PO~4~) | Acta Crystallographica Section C | 2,003 | 59 | 8 | i83 | i85 | 10.1107/S0108270103011417 | 0.71073 | MoKα | 0.0186 | 0.017 | null | null | 0.0347 | 0.035 | null | null | null | null | null | 1.107 | null | null | has coordinates,has Fobs | Massa, Werner; Yakubovich, Olga V.; Dimitrova, Olga V.
A new cubic form of caesium hexaaquamagnesium phosphate, Cs[Mg(H~2~O)~6~](PO~4~)
Acta Crystallographica Section C
59(8)
(2003)
i83-i85 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013391.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,392 | 6.1903 | 0.0001 | 12.0733 | 0.0002 | 7.0741 | 0.0001 | 90 | null | 115.67 | 0.0008 | 90 | null | 476.519 | 0.013 | 250 | 1 | 250 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | KH~2~PO~4~.HF adduct (I) | potassium dihydrogenphosphate - hydrofluoric acid adduct (I) | - F H3 K O4 P - | - F H3 K O4 P - | - F4 H12 K4 O16 P4 - | 4 | 1 | BC1019 | Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana | Two modifications of a KH~2~PO~4~·HF adduct | Acta Crystallographica Section C | 2,003 | 59 | 8 | i79 | i82 | 10.1107/S0108270103012654 | 0.71069 | MoKα | 0.023 | 0.0218 | null | null | 0.0557 | 0.0565 | null | null | null | null | null | 1.108 | null | null | has coordinates,has Fobs | Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana
Two modifications of a KH~2~PO~4~·HF adduct
Acta Crystallographica Section C
59(8)
(2003)
i79-i82 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013392.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,393 | 6.1624 | 0.0001 | 12.0744 | 0.0002 | 7.0448 | 0.0001 | 90 | null | 115.74 | 0.0009 | 90 | null | 472.172 | 0.013 | 150 | 1 | 150 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | KH~2~PO~4~.HF adduct (I) | potassium dihydrogenphosphate - hydrofluoric acid adduct (I) | - F H3 K O4 P - | - F H3 K O4 P - | - F4 H12 K4 O16 P4 - | 4 | 1 | BC1019 | Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana | Two modifications of a KH~2~PO~4~·HF adduct | Acta Crystallographica Section C | 2,003 | 59 | 8 | i79 | i82 | 10.1107/S0108270103012654 | 0.71069 | MoKα | 0.021 | 0.0201 | null | null | 0.0589 | 0.0593 | null | null | null | null | null | 1.225 | null | null | has coordinates,has Fobs | Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana
Two modifications of a KH~2~PO~4~·HF adduct
Acta Crystallographica Section C
59(8)
(2003)
i79-i82 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013393.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,394 | 6.5004 | 0.0002 | 7.6116 | 0.0002 | 9.5029 | 0.0002 | 90 | null | 101.15 | 0.0016 | 90 | null | 461.31 | 0.02 | 292 | 2 | 292 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | KH~2~PO~4~.HF adduct (II) | potassium dihydrogenphosphate - hydrofluoric acid adduct (II) | - F H3 K O4 P - | - F H3 K O4 P - | - F4 H12 K4 O16 P4 - | 4 | 1 | BC1019 | Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana | Two modifications of a KH~2~PO~4~·HF adduct | Acta Crystallographica Section C | 2,003 | 59 | 8 | i79 | i82 | 10.1107/S0108270103012654 | 0.71069 | MoKα | 0.0258 | 0.0249 | null | null | 0.0698 | 0.0705 | null | null | null | null | null | 1.106 | null | null | has coordinates,has Fobs | Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana
Two modifications of a KH~2~PO~4~·HF adduct
Acta Crystallographica Section C
59(8)
(2003)
i79-i82 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013394.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,395 | 6.448 | 0.0002 | 7.566 | 0.0002 | 9.476 | 0.0003 | 90 | null | 101.237 | 0.0018 | 90 | null | 453.43 | 0.02 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | KH~2~PO~4~.HF adduct (II) | potassium dihydrogenphosphate - hydrofluoric acid adduct (II) | - F H3 K O4 P - | - F H3 K O4 P - | - F4 H12 K4 O16 P4 - | 4 | 1 | BC1019 | Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana | Two modifications of a KH~2~PO~4~·HF adduct | Acta Crystallographica Section C | 2,003 | 59 | 8 | i79 | i82 | 10.1107/S0108270103012654 | 0.7107 | MoKα | 0.0245 | 0.0239 | null | null | 0.0591 | 0.0594 | null | null | null | null | null | 1.176 | null | null | has coordinates,has Fobs | Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana
Two modifications of a KH~2~PO~4~·HF adduct
Acta Crystallographica Section C
59(8)
(2003)
i79-i82 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013395.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,396 | 10.559 | 0.004 | 7.898 | 0.003 | 6.057 | 0.003 | 90 | null | 90 | null | 90 | null | 505.1 | 0.4 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P n n a | -P 2a 2bc | 52 | sodium hexafluorophosphate monohydrate | sodium hexafluorophospate monohydrate | - F6 H2 Na O P - | - F6 H2 Na O P - | - F24 H8 Na4 O4 P4 - | 4 | 0.5 | BC1021 | Ilia A. Guzei; Joseph M. Langenhan | The correct space group of NaPF~6~·H~2~O | Acta Crystallographica Section C | 2,003 | 59 | 9 | i95 | i96 | 10.1107/S0108270103014446 | 0.71073 | MoKα | 0.054 | 0.0452 | null | null | 0.0942 | 0.0976 | null | null | null | null | null | 1.183 | null | null | has coordinates,has Fobs | Ilia A. Guzei; Joseph M. Langenhan
The correct space group of NaPF~6~·H~2~O
Acta Crystallographica Section C
59(9)
(2003)
i95-i96 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013396.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,397 | 13.639 | 0.003 | 8.899 | 0.002 | 6.9254 | 0.0017 | 90 | null | 97.13 | 0.02 | 90 | null | 834.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | bis(3-cyanofurazan-4-yl) ether | - C6 N6 O3 - | - C6 N6 O3 - | - C24 N24 O12 - | 4 | 1 | BM1529 | Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V. | Four 3-cyanodifurazanyl ethers: potential propellants | Acta Crystallographica Section C | 2,003 | 59 | 7 | o383 | o387 | 10.1107/S0108270103009521 | 0.71073 | MoKα | 0.039 | 0.0341 | null | null | 0.0992 | 0.1014 | null | null | null | null | null | 1.088 | null | null | has coordinates,has Fobs | Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.
Four 3-cyanodifurazanyl ethers: potential propellants
Acta Crystallographica Section C
59(7)
(2003)
o383-o387 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013397.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,398 | 7.853 | 0.002 | 8.791 | 0.002 | 12.229 | 0.003 | 90 | null | 90 | null | 90 | null | 844.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3-cyanofurazanyl 3-nitrofurazanyl ether | - C5 N6 O5 - | - C5 N6 O5 - | - C20 N24 O20 - | 4 | 1 | BM1529 | Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V. | Four 3-cyanodifurazanyl ethers: potential propellants | Acta Crystallographica Section C | 2,003 | 59 | 7 | o383 | o387 | 10.1107/S0108270103009521 | 0.71073 | MoKα | 0.0559 | 0.0451 | null | null | 0.1173 | 0.1207 | null | null | null | null | null | 1.015 | null | null | has coordinates,has Fobs | Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.
Four 3-cyanodifurazanyl ethers: potential propellants
Acta Crystallographica Section C
59(7)
(2003)
o383-o387 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013398.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,399 | 7.8295 | 0.0015 | 8.6273 | 0.0018 | 17.409 | 0.003 | 90 | null | 90 | null | 90 | null | 1,175.9 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3,4-bis(3-cyanofurazan-4-yloxy)furazan | - C8 N8 O5 - | - C8 N8 O5 - | - C32 N32 O20 - | 4 | 1 | BM1529 | Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V. | Four 3-cyanodifurazanyl ethers: potential propellants | Acta Crystallographica Section C | 2,003 | 59 | 7 | o383 | o387 | 10.1107/S0108270103009521 | 0.71073 | MoKα | 0.0495 | 0.0447 | null | null | 0.1248 | 0.1281 | null | null | null | null | null | 1.049 | null | null | has coordinates,has Fobs | Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.
Four 3-cyanodifurazanyl ethers: potential propellants
Acta Crystallographica Section C
59(7)
(2003)
o383-o387 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/33/2013399.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,400 | 6.43 | 0.0013 | 13.709 | 0.003 | 17.134 | 0.003 | 90 | null | 90 | null | 90 | null | 1,510.3 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | bis[3-(3-cyanofurazan-4-yloxy)furazan-4-yl]diazene | - C10 N12 O6 - | - C10 N12 O6 - | - C40 N48 O24 - | 4 | 0.5 | BM1529 | Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V. | Four 3-cyanodifurazanyl ethers: potential propellants | Acta Crystallographica Section C | 2,003 | 59 | 7 | o383 | o387 | 10.1107/S0108270103009521 | 0.71073 | MoKα | 0.0556 | 0.0404 | null | null | 0.1011 | 0.1107 | null | null | null | null | null | 1.048 | null | null | has coordinates,has Fobs | Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.
Four 3-cyanodifurazanyl ethers: potential propellants
Acta Crystallographica Section C
59(7)
(2003)
o383-o387 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013400.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,401 | 11.4841 | 0.0002 | 13.5642 | 0.0003 | 17.5171 | 0.0004 | 87.147 | 0.001 | 88.062 | 0.001 | 81.073 | 0.001 | 2,691.35 | 0.1 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | cis-{η^2^-(Ph~3~PAu)~2~}Ph~3~PCr(CO)~4~ tetrahydrofuran solvate | tetracarbonyl-1κ^4^C-tris(triphenylphosphino)-1κP,2κP,3κP-triangulo- chromiumdisilver(Au—Au)(2 Cr—Au) tetrahydrofuran solvate | - C62 H53 Au2 Cr O5 P3 - | - C62 H53 Au2 Cr O5 P3 - | - C124 H106 Au4 Cr2 O10 P6 - | 2 | 1 | BM1531 | Esterhuysen, Matthias W.; Raubenheimer, Helgard G. | [<i>cis</i>-{η^2^-(Ph~3~PAu)~2~}Ph~3~PCr(CO)~4~]·THF, featuring the shortest known separation between two Au metal centres in a heteronuclear Au~2~<i>M</i> cluster | Acta Crystallographica Section C | 2,003 | 59 | 7 | m286 | m288 | 10.1107/S0108270103010370 | 0.71073 | MoKα | 0.0523 | 0.0306 | null | null | 0.0522 | 0.0574 | null | null | null | null | null | 0.99 | null | null | has coordinates,has Fobs | Esterhuysen, Matthias W.; Raubenheimer, Helgard G.
[<i>cis</i>-{η^2^-(Ph~3~PAu)~2~}Ph~3~PCr(CO)~4~]·THF, featuring the shortest known separation between two Au metal centres in a heteronuclear Au~2~<i>M</i> cluster
Acta Crystallographica Section C
59(7)
(2003)
m286-m288 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013401.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,402 | 16.3632 | 0.0005 | 5.3329 | 0.0002 | 8.4108 | 0.0003 | 90 | null | 100.364 | 0.002 | 90 | null | 721.98 | 0.04 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 5-Bromo-2-hydroxybenzyl alcohol | 4-Bromo-2-hydroxymethyl-phenol | - C7 H7 Br O2 - | - C7 H7 Br O2 - | - C28 H28 Br4 O8 - | 4 | 1 | BM1532 | Philip J. Cox | 4-Bromo-2-(hydroxymethyl)phenol: helical hydrogen bonding, <i>R</i>_<b>2</b>^<b>2</b>(12) rings and C—H···π interactions | Acta Crystallographica Section C | 2,003 | 59 | 9 | o512 | o513 | 10.1107/S0108270103013635 | 0.71073 | MoKα | 0.0471 | 0.0417 | null | null | 0.1098 | 0.1144 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Philip J. Cox
4-Bromo-2-(hydroxymethyl)phenol: helical hydrogen bonding, <i>R</i>_<b>2</b>^<b>2</b>(12) rings and C—H···π interactions
Acta Crystallographica Section C
59(9)
(2003)
o512-o513 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013402.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,403 | 9.629 | 0.0019 | 12.459 | 0.003 | 13.867 | 0.003 | 82.91 | 0.03 | 81.28 | 0.03 | 83.65 | 0.03 | 1,624.6 | 0.6 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4,6,7,8-tetra-tert-butyl-1,2,3-triphospha-5- phosphoniapentacyclo[3.2.1.0^2,4^.0^3,8^]oct-6-ene tetraiodogallate | - C20 H37 Ga I4 P4 - | - C20 H37 Ga I4 P4 - | - C40 H74 Ga2 I8 P8 - | 2 | 1 | BM1533 | Baker, Robert J.; Bettentrup, Helga; Jones, Cameron | The synthesis of phosphorus heterocycles from tetra-<i>tert</i>-butyltetraphosphacubane | Acta Crystallographica Section C | 2,003 | 59 | 9 | m339 | m341 | 10.1107/S0108270103014501 | 0.71073 | MoKα | 0.0772 | 0.0571 | null | null | 0.137 | 0.151 | null | null | null | null | null | 1.042 | null | null | has coordinates,has Fobs | Baker, Robert J.; Bettentrup, Helga; Jones, Cameron
The synthesis of phosphorus heterocycles from tetra-<i>tert</i>-butyltetraphosphacubane
Acta Crystallographica Section C
59(9)
(2003)
m339-m341 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013403.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,404 | 12.082 | 0.002 | 17.522 | 0.004 | 14.615 | 0.003 | 90 | null | 101.47 | 0.03 | 90 | null | 3,032.2 | 1.1 | 150 | 2 | 150 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | triiodo(3,5,7,8-tetra-tert-butyl-1,2,4λ^5^,6- tetraphosphatetracyclo[4.1.1.0^2,5^.0^7,8^]octan-4-one)gallium | - C20 H38 Ga I3 O P4 - | - C20 H38 Ga I3 O P4 - | - C80 H152 Ga4 I12 O4 P16 - | 4 | 1 | BM1533 | Baker, Robert J.; Bettentrup, Helga; Jones, Cameron | The synthesis of phosphorus heterocycles from tetra-<i>tert</i>-butyltetraphosphacubane | Acta Crystallographica Section C | 2,003 | 59 | 9 | m339 | m341 | 10.1107/S0108270103014501 | 0.71073 | MoKα | 0.0406 | 0.0332 | null | null | 0.078 | 0.0814 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Baker, Robert J.; Bettentrup, Helga; Jones, Cameron
The synthesis of phosphorus heterocycles from tetra-<i>tert</i>-butyltetraphosphacubane
Acta Crystallographica Section C
59(9)
(2003)
m339-m341 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013404.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,405 | 11.0551 | 0.0004 | 11.7236 | 0.0004 | 11.8718 | 0.0005 | 64.1855 | 0.0018 | 89.6613 | 0.0016 | 83.484 | 0.002 | 1,374.53 | 0.09 | 120 | 2 | 120 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Imperatorin, Phellopterin | 8-(3-methylbut-2-enyloxy)furo[3,2-g]chromen-7-one 5-methoxy-8-(3-methylbut-2-enyloxy)furo[3,2-g]chromen-7-one (0.93/0.07) | - C16.08 H14.15 O4.08 - | - C16.074 H14.148 O4.074 - | - C64.296 H56.592 O16.296 - | 4 | 2 | BM1534 | Philip J Cox; Marcel Jaspars; Yashodharan Kumarasamy; Lutfun Nahar; Satyajit D. Sarker; Mohammad Shoeb | A mixed crystal of imperatorin and phellopterin, with C—H···O, C—H···π and π‒π interactions | Acta Crystallographica Section C | 2,003 | 59 | 9 | o520 | o522 | 10.1107/S0108270103012459 | 0.71073 | MoKα | 0.1638 | 0.0838 | null | null | 0.1535 | 0.1813 | null | null | null | null | null | 1.048 | null | null | has coordinates,has Fobs | Philip J Cox; Marcel Jaspars; Yashodharan Kumarasamy; Lutfun Nahar; Satyajit D. Sarker; Mohammad Shoeb
A mixed crystal of imperatorin and phellopterin, with C—H···O, C—H···π and π‒π interactions
Acta Crystallographica Section C
59(9)
(2003)
o520-o522 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013405.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,406 | 12.951 | 0.003 | 11.43 | 0.002 | 9.4079 | 0.0019 | 90 | null | 109.51 | 0.03 | 90 | null | 1,312.7 | 0.5 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 6-chloro-m-cresol | 2-chloro-methylphenol | - C7 H7 Cl O - | - C7 H7 Cl O - | - C56 H56 Cl8 O8 - | 8 | 2 | BM1535 | Philip J Cox | Supramolecular structures of 2-chloro-5-methylphenol and 4-chloro-3-methylphenol (chlorocresol) | Acta Crystallographica Section C | 2,003 | 59 | 9 | o533 | o536 | 10.1107/S0108270103012447 | 0.71073 | MoKα | 0.0646 | 0.0561 | null | null | 0.1339 | 0.1376 | null | null | null | null | null | 1.095 | null | null | has coordinates,has Fobs | Philip J Cox
Supramolecular structures of 2-chloro-5-methylphenol and 4-chloro-3-methylphenol (chlorocresol)
Acta Crystallographica Section C
59(9)
(2003)
o533-o536 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013406.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,407 | 10.6998 | 0.0004 | 14.2926 | 0.0005 | 8.7105 | 0.0003 | 90 | null | 91.152 | 0.002 | 90 | null | 1,331.81 | 0.08 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4-chloro-m-cresol | 4-chloro-3-methylphenol | - C7 H7 Cl O - | - C7 H7 Cl O - | - C56 H56 Cl8 O8 - | 8 | 2 | BM1535 | Philip J Cox | Supramolecular structures of 2-chloro-5-methylphenol and 4-chloro-3-methylphenol (chlorocresol) | Acta Crystallographica Section C | 2,003 | 59 | 9 | o533 | o536 | 10.1107/S0108270103012447 | 0.71073 | MoKα | 0.0861 | 0.0457 | null | null | 0.0988 | 0.1132 | null | null | null | null | null | 1.029 | null | null | has coordinates,has Fobs | Philip J Cox
Supramolecular structures of 2-chloro-5-methylphenol and 4-chloro-3-methylphenol (chlorocresol)
Acta Crystallographica Section C
59(9)
(2003)
o533-o536 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013407.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,408 | 17.5017 | 0.0017 | 17.5017 | 0.0017 | 7.7186 | 0.0008 | 90 | null | 90 | null | 90 | null | 2,364.3 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 42/n :2 | -P 4bc | 86 | - C13 H11 N3 O2 - | - C13 H11 N3 O2 - | - C104 H88 N24 O16 - | 8 | 1 | BM1538 | Tunc̨, Tuncay; Tezcan, Habibe; Sarı, Musa; Büyükgüngör, Orhan; Yaǵbasan, Rahmi | <i>N</i>-(4-Nitrobenzylidene)-<i>N</i>'-phenylhydrazine | Acta Crystallographica Section C | 2,003 | 59 | 9 | o528 | o529 | 10.1107/S0108270103016019 | 0.71073 | MoKα | 0.0655 | 0.0323 | null | null | 0.0679 | 0.0702 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | Tunc̨, Tuncay; Tezcan, Habibe; Sarı, Musa; Büyükgüngör, Orhan; Yaǵbasan, Rahmi
<i>N</i>-(4-Nitrobenzylidene)-<i>N</i>'-phenylhydrazine
Acta Crystallographica Section C
59(9)
(2003)
o528-o529 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013408.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,409 | 10.471 | 0.001 | 13.1323 | 0.0011 | 14.0516 | 0.0012 | 90 | null | 102.19 | 0.01 | 90 | null | 1,888.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | pyrazolo[3,4-d]pyrimidine | 4,6-Bis(methylsulfanyl)-1-phthalimidopropyl-1H-pyrazolo[3,4-d]pyrimidine | - C18 H17 N5 O2 S2 - | - C18 H17 N5 O2 S2 - | - C72 H68 N20 O8 S8 - | 4 | 1 | DE1208 | Avasthi, Kamlakar; Bhagat, Deepa; Bal, Chandralata; Sharon, Ashoke; Yadav, Umesh; Maulik, Prakas R. | Unusual molecular conformation in dissymmetric propylene-linker compounds containing pyrazolo[3,4-<i>d</i>]pyrimidine and phthalimide moieties | Acta Crystallographica Section C | 2,003 | 59 | 8 | o409 | o412 | 10.1107/S0108270103011442 | 0.71073 | MoKα | 0.0548 | 0.0372 | null | null | 0.083 | 0.092 | null | null | null | null | null | 1.019 | null | null | has coordinates | Avasthi, Kamlakar; Bhagat, Deepa; Bal, Chandralata; Sharon, Ashoke; Yadav, Umesh; Maulik, Prakas R.
Unusual molecular conformation in dissymmetric propylene-linker compounds containing pyrazolo[3,4-<i>d</i>]pyrimidine and phthalimide moieties
Acta Crystallographica Section C
59(8)
(2003)
o409-o412 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013409.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,410 | 7.5993 | 0.0006 | 9.3968 | 0.0007 | 15.376 | 0.002 | 80.684 | 0.008 | 82.48 | 0.01 | 72.685 | 0.006 | 1,030.41 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Parazolo[3,4-d]pyrimidine | 6-Methylsulfanyl-1-phthalimidopropyl-4-pyrrolidino-1H- pyrazolo[3,4-d]pyrimidine | - C21 H22 N6 O2 S - | - C21 H22 N6 O2 S - | - C42 H44 N12 O4 S2 - | 2 | 1 | DE1208 | Avasthi, Kamlakar; Bhagat, Deepa; Bal, Chandralata; Sharon, Ashoke; Yadav, Umesh; Maulik, Prakas R. | Unusual molecular conformation in dissymmetric propylene-linker compounds containing pyrazolo[3,4-<i>d</i>]pyrimidine and phthalimide moieties | Acta Crystallographica Section C | 2,003 | 59 | 8 | o409 | o412 | 10.1107/S0108270103011442 | 0.71073 | MoKα | 0.0919 | 0.0569 | null | null | 0.1403 | 0.1707 | null | null | null | null | null | 1.057 | null | null | has coordinates | Avasthi, Kamlakar; Bhagat, Deepa; Bal, Chandralata; Sharon, Ashoke; Yadav, Umesh; Maulik, Prakas R.
Unusual molecular conformation in dissymmetric propylene-linker compounds containing pyrazolo[3,4-<i>d</i>]pyrimidine and phthalimide moieties
Acta Crystallographica Section C
59(8)
(2003)
o409-o412 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013410.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,411 | 9.157 | 0.001 | 9.768 | 0.001 | 11.366 | 0.002 | 98.95 | 0.01 | 97.14 | 0.01 | 94.03 | 0.01 | 992.3 | 0.2 | 173 | null | 173 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C28 H36 Ca F6 N8 O12 S2 - | - C28 H36 Ca F6 N8 O12 S2 - | - C28 H36 Ca F6 N8 O12 S2 - | 1 | 0.5 | DE1212 | M. Barboiu; A. van der Lee | Hydrogen bonding in calcium–trifluoromethanesulfonate–1,3-di-4-pyridylurea–methanol (1/2/2/4) | Acta Crystallographica Section C | 2,003 | 59 | 9 | m366 | m368 | 10.1107/S0108270103011454 | 0.71073 | MoKα | 0.0748 | 0.035 | null | null | 0.0602 | 0.0663 | null | null | null | null | null | 0.695 | null | null | has coordinates | M. Barboiu; A. van der Lee
Hydrogen bonding in calcium–trifluoromethanesulfonate–1,3-di-4-pyridylurea–methanol (1/2/2/4)
Acta Crystallographica Section C
59(9)
(2003)
m366-m368 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013411.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,412 | 8.152 | 0.002 | 15.622 | 0.004 | 18.08 | 0.005 | 86.6 | 0.01 | 86.93 | 0.01 | 75.57 | 0.01 | 2,224.1 | 1 | 174 | 2 | 174 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | diiododurene | 1,4-Diiodo-2,3,5,6-tetramethylbenzene | - C10 H12 I2 - | - C10 H12 I2 - | - C80 H96 I16 - | 8 | 4 | DE1213 | Britton, Doyle; Gleason, William B. | Diiododurene: four centrosymmetric molecules in general positions | Acta Crystallographica Section C | 2,003 | 59 | 8 | o439 | o442 | 10.1107/S0108270103012769 | 0.71073 | MoKα | 0.047 | 0.027 | null | null | 0.06 | 0.061 | null | null | null | null | null | 1 | null | null | has coordinates,has disorder,has Fobs | Britton, Doyle; Gleason, William B.
Diiododurene: four centrosymmetric molecules in general positions
Acta Crystallographica Section C
59(8)
(2003)
o439-o442 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013412.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,413 | 21.044 | 0.002 | 8.814 | 0.001 | 18.953 | 0.002 | 90 | null | 118.07 | 0.01 | 90 | null | 3,101.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | pyrazolo[3,4-d]pyrimidine | 1,3-bis(4,6-diisopropylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane | - C25 H36 N8 S4 - | - C25 H36 N8 S4 - | - C100 H144 N32 S16 - | 4 | 0.5 | DE1217 | Avasthi, Kamlakar; Farooq, Sheikh M.; Rawat, Diwan S.; Sharon, Ashoke; Maulik, Prakas R. | A stacked pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible molecule: the effect on stacking of a bulky isopropyl group in comparison with a methyl/ethyl group | Acta Crystallographica Section C | 2,003 | 59 | 9 | o523 | o524 | 10.1107/S0108270103016676 | 0.71073 | MoKα | 0.0415 | 0.0345 | null | null | 0.089 | 0.0936 | null | null | null | null | null | 1.028 | null | null | has coordinates,has Fobs | Avasthi, Kamlakar; Farooq, Sheikh M.; Rawat, Diwan S.; Sharon, Ashoke; Maulik, Prakas R.
A stacked pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible molecule: the effect on stacking of a bulky isopropyl group in comparison with a methyl/ethyl group
Acta Crystallographica Section C
59(9)
(2003)
o523-o524 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013413.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,414 | 11.817 | 0.003 | 11.817 | 0.003 | 36.608 | 0.004 | 90 | null | 90 | null | 90 | null | 5,112 | 1.9 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 41 21 2 | P 4abw 2nw | 92 | - C63 H44 F6 N4 Ru - | - C63 H44 F6 N4 Ru - | - C252 H176 F24 N16 Ru4 - | 4 | 0.5 | DE1218 | Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken | A five-coordinate ruthenium(II)‒porphyrin‒carbene complex: [bis(3-trifluoromethylphenyl)methylene-κ<i>C</i>](5,10,15,20-tetra-<i>p</i>-tolylporphyrinato-κ^4^<i>N</i>)ruthenium(II) | Acta Crystallographica Section C | 2,003 | 59 | 9 | m369 | m370 | 10.1107/S010827010301669X | 0.71069 | MoKα | 0.088 | 0.05 | null | null | 0.124 | 0.142 | null | null | null | null | null | 1.023 | null | null | has coordinates,has disorder,has Fobs | Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken
A five-coordinate ruthenium(II)‒porphyrin‒carbene complex: [bis(3-trifluoromethylphenyl)methylene-κ<i>C</i>](5,10,15,20-tetra-<i>p</i>-tolylporphyrinato-κ^4^<i>N</i>)ruthenium(II)
Acta Crystallographica Section C
59(9)
(2003)
m369-m370 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013414.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,415 | 10.824 | 0.005 | 24.12 | 0.01 | 13.18 | 0.003 | 90 | null | 95.42 | 0.03 | 90 | null | 3,426 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | Bis[1-(p-chlorophenyl)-5-isopropylbiguanide] nickel(II) dichloride dimethylformamide solvate. | - C25 H39 Cl4 N11 Ni O - | - C25 H39 Cl4 N11 Ni O - | - C100 H156 Cl16 N44 Ni4 O4 - | 4 | 1 | DN1020 | F. Bentefrit; P. Lemoine; D. Nguyen-Huy; G. Morgant; B. Viossat | Bis[1-(<i>p</i>-chlorophenyl)-5-isopropylbiguanide-κ^2^<i>N</i>^2^,<i>N</i>^4^]nickel(II) dichloride dimethylformamide solvate | Acta Crystallographica Section C | 2,003 | 59 | 8 | m331 | m333 | 10.1107/S0108270103013519 | 0.71069 | MoKα | 0.1238 | 0.0399 | null | null | 0.0896 | 0.1098 | null | null | null | null | null | 0.961 | null | null | has coordinates,has disorder,has Fobs | F. Bentefrit; P. Lemoine; D. Nguyen-Huy; G. Morgant; B. Viossat
Bis[1-(<i>p</i>-chlorophenyl)-5-isopropylbiguanide-κ^2^<i>N</i>^2^,<i>N</i>^4^]nickel(II) dichloride dimethylformamide solvate
Acta Crystallographica Section C
59(8)
(2003)
m331-m333 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013415.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,416 | 11.546 | 0.002 | 10.321 | 0.003 | 11.594 | 0.004 | 90 | null | 118.031 | 0.005 | 90 | null | 1,219.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (2'R,3'R,5'R,2S,3S)-3-bromomethyl-3-hydroxy-2-[(2'-hydroxy-2',6',6'- trimethylbicyclo[3.1.1]hept-3'-ylidene)amino]succinic acid | - C21 H34 Br N O6 - | - C21 H34 Br N O6 - | - C42 H68 Br2 N2 O12 - | 2 | 1 | DN1023 | Johny Wehbe; Valérie Rolland; Jean Martinez; Marc Rolland | An intermediate in a new synthesis approach to β-substituted β-hydroxyaspartame | Acta Crystallographica Section C | 2,003 | 59 | 8 | o473 | o475 | 10.1107/S0108270103014057 | 0.71073 | MoKα | 0.0598 | 0.0458 | null | null | 0.1087 | 0.1194 | null | null | null | null | null | 1.052 | null | null | has coordinates,has disorder,has Fobs | Johny Wehbe; Valérie Rolland; Jean Martinez; Marc Rolland
An intermediate in a new synthesis approach to β-substituted β-hydroxyaspartame
Acta Crystallographica Section C
59(8)
(2003)
o473-o475 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013416.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,417 | 13.4356 | 0.0006 | 7.2183 | 0.0002 | 16.0421 | 0.0006 | 90 | null | 118.51 | 0.002 | 90 | null | 1,367.13 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H12 Cl2 Cu N4 - | - C12 H12 Cl2 Cu N4 - | - C48 H48 Cl8 Cu4 N16 - | 4 | 1 | DN1026 | Sbai, F.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M. | Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium | Acta Crystallographica Section C | 2,003 | 59 | 8 | m334 | m336 | 10.1107/S0108270103013945 | 0.71073 | MoKα | 0.0359 | 0.0311 | null | null | 0.0746 | 0.0775 | null | null | null | null | null | 1.066 | null | null | has coordinates,has Fobs | Sbai, F.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M.
Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium
Acta Crystallographica Section C
59(8)
(2003)
m334-m336 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013417.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,418 | 7.8306 | 0.0002 | 9.7979 | 0.0003 | 10.1976 | 0.0004 | 92.861 | 0.001 | 112.014 | 0.001 | 105.493 | 0.001 | 689.07 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C24 H24 Cd2 Cl4 N8 - | - C24 H24 Cd2 Cl4 N8 - | - C24 H24 Cd2 Cl4 N8 - | 1 | 0.5 | DN1026 | Sbai, F.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M. | Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium | Acta Crystallographica Section C | 2,003 | 59 | 8 | m334 | m336 | 10.1107/S0108270103013945 | 0.71073 | MoKα | 0.0236 | 0.0215 | null | null | 0.0495 | 0.0511 | null | null | null | null | null | 1.092 | null | null | has coordinates,has Fobs | Sbai, F.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M.
Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium
Acta Crystallographica Section C
59(8)
(2003)
m334-m336 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013418.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,419 | 7.691 | 0.013 | 14.41 | 0.02 | 8.909 | 0.011 | 90 | null | 113.13 | 0.02 | 90 | null | 908 | 2 | 14 | 1 | 14 | 1 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | DBM | 1,3-dibromo-2,4,6-trimethylbenzene | - C9 H10 Br2 - | - C9 H10 Br2 - | - C36 H40 Br8 - | 4 | 1 | FA1013 | Hernandez, Olivier; Cousson, Alain; Plazanet, Marie; Nierlich, Martine; Meinnel, Jean | The low-temperature phase of 1,3-dibromo-2,4,6-trimethylbenzene: a single-crystal neutron diffraction study at 120 and 14K | Acta Crystallographica Section C | 2,003 | 59 | 8 | o445 | o450 | 10.1107/S0108270103012666 | neutron | 0.8308 | Neutron | null | 0.0261 | null | null | null | 0.0233 | null | null | null | null | null | 1.1552 | null | null | has coordinates,has Fobs | Hernandez, Olivier; Cousson, Alain; Plazanet, Marie; Nierlich, Martine; Meinnel, Jean
The low-temperature phase of 1,3-dibromo-2,4,6-trimethylbenzene: a single-crystal neutron diffraction study at 120 and 14K
Acta Crystallographica Section C
59(8)
(2003)
o445-o450 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013419.cif $
#-------------------------------------------------------------------... | ||||||||
2,013,420 | 7.721 | 0.014 | 14.46 | 0.03 | 8.924 | 0.017 | 90 | null | 112.87 | 0.02 | 90 | null | 918 | 3 | 120 | 1 | 120 | 1 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | DBM | 1,3-dibromo-2,4,6-trimethylbenzene | - C9 H10 Br2 - | - C9 H10 Br2 - | - C36 H40 Br8 - | 4 | 1 | FA1013 | Hernandez, Olivier; Cousson, Alain; Plazanet, Marie; Nierlich, Martine; Meinnel, Jean | The low-temperature phase of 1,3-dibromo-2,4,6-trimethylbenzene: a single-crystal neutron diffraction study at 120 and 14K | Acta Crystallographica Section C | 2,003 | 59 | 8 | o445 | o450 | 10.1107/S0108270103012666 | neutron | 0.8308 | Neutron | null | 0.0324 | null | null | null | 0.0235 | null | null | null | null | null | 1.0624 | null | null | has coordinates,has Fobs | Hernandez, Olivier; Cousson, Alain; Plazanet, Marie; Nierlich, Martine; Meinnel, Jean
The low-temperature phase of 1,3-dibromo-2,4,6-trimethylbenzene: a single-crystal neutron diffraction study at 120 and 14K
Acta Crystallographica Section C
59(8)
(2003)
o445-o450 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013420.cif $
#-------------------------------------------------------------------... | ||||||||
2,013,421 | 7.1797 | 0.0015 | 8.954 | 0.003 | 14.301 | 0.004 | 90 | null | 99.401 | 0.007 | 90 | null | 907 | 0.4 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | uranyl dinitrate trihydrate | diaquadinitratouranyl(VI) hydrate | - H6 N2 O11 U - | - H6 N2 O11 U - | - H24 N8 O44 U4 - | 4 | 1 | FA1015 | Shuvalov, Robert R.; Burns, Peter C. | A monoclinic polymorph of uranyl dinitrate trihydrate, [UO~2~(NO~3~)~2~(H~2~O)~2~]·H~2~O | Acta Crystallographica Section C | 2,003 | 59 | 8 | i71 | i73 | 10.1107/S0108270103012113 | 0.71073 | MoKα | null | 0.0303 | null | null | null | 0.059 | null | null | null | null | null | 0.996 | null | null | has coordinates,has Fobs | Shuvalov, Robert R.; Burns, Peter C.
A monoclinic polymorph of uranyl dinitrate trihydrate, [UO~2~(NO~3~)~2~(H~2~O)~2~]·H~2~O
Acta Crystallographica Section C
59(8)
(2003)
i71-i73 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013421.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,422 | 7.517 | 0.0015 | 12.733 | 0.003 | 12.956 | 0.003 | 90 | null | 94.96 | 0.03 | 90 | null | 1,235.4 | 0.5 | 293 | 2 | 193 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | trans-bis(3,5-diaza-1-azonia-7-phosphaadamantane- κP)bis(thiocyanato-κS)palladium(II) bis(thiocyanate) | - C16 H26 N10 P2 Pd S4 - | - C16 H26 N10 P2 Pd S4 - | - C32 H52 N20 P4 Pd2 S8 - | 2 | 0.5 | FA1019 | Meij, Anna M. M.; Otto, Stefanus; Roodt, Andreas | <i>trans</i>-Bis(3,5-diaza-1-azonia-7-phosphaadamantane-κ<i>P</i>)bis(thiocyanato-κ<i>S</i>)palladium(II) bis(thiocyanate) | Acta Crystallographica Section C | 2,003 | 59 | 9 | m352 | m354 | 10.1107/S010827010301521X | 0.71073 | MoKα | 0.0468 | 0.0289 | null | null | 0.052 | 0.0569 | null | null | null | null | null | 1.012 | null | null | has coordinates,has Fobs | Meij, Anna M. M.; Otto, Stefanus; Roodt, Andreas
<i>trans</i>-Bis(3,5-diaza-1-azonia-7-phosphaadamantane-κ<i>P</i>)bis(thiocyanato-κ<i>S</i>)palladium(II) bis(thiocyanate)
Acta Crystallographica Section C
59(9)
(2003)
m352-m354 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013422.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,423 | 6.08 | 0.003 | 6.815 | 0.003 | 14.314 | 0.005 | 96.86 | 0.04 | 91.28 | 0.04 | 101.4 | 0.05 | 576.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1H-pyrazole-1-carboxamide | - C12 H15 N3 O - | - C12 H15 N3 O - | - C24 H30 N6 O2 - | 2 | 1 | FA1020 | Viktor Kettmann; Jan Světlík | 4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1<i>H</i>-pyrazole-1-carboxamide | Acta Crystallographica Section C | 2,003 | 59 | 8 | o419 | o421 | 10.1107/S0108270103012241 | 0.71073 | MoKα | 0.0852 | 0.0516 | null | null | 0.1275 | 0.1456 | null | null | null | null | null | 1.022 | null | null | has coordinates,has Fobs | Viktor Kettmann; Jan Světlík
4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1<i>H</i>-pyrazole-1-carboxamide
Acta Crystallographica Section C
59(8)
(2003)
o419-o421 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013423.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,424 | 10.8567 | 0.0005 | 11.1494 | 0.0005 | 13.2873 | 0.001 | 66.672 | 0.005 | 73.054 | 0.005 | 80.19 | 0.005 | 1,410 | 0.15 | 200 | 2 | 200 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | chloro[1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-4-ium-1-yl)-3- quinolinecarboxylate-κ^2^O^3^,O^4^](1,10-phenanthroline-κ^2^N,N')copper chloride dihydrate | - C29 H30 Cl2 Cu F N5 O5 - | - C29 H30 Cl2 Cu F N5 O5 - | - C58 H60 Cl4 Cu2 F2 N10 O10 - | 2 | 1 | FA1021 | Drevenšek, Petra; Leban, Ivan; Turel, Iztok; Giester, Gerald; Tillmanns, Ekkehart | A novel copper(II) complex with 1,10-phenanthroline and ciprofloxacin | Acta Crystallographica Section C | 2,003 | 59 | 9 | m376 | m378 | 10.1107/S0108270103016330 | 0.71073 | MoKα | 0.036 | 0.029 | null | null | 0.071 | 0.074 | null | null | null | null | null | 1.051 | null | null | has coordinates,has Fobs | Drevenšek, Petra; Leban, Ivan; Turel, Iztok; Giester, Gerald; Tillmanns, Ekkehart
A novel copper(II) complex with 1,10-phenanthroline and ciprofloxacin
Acta Crystallographica Section C
59(9)
(2003)
m376-m378 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013424.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,425 | 18.831 | 0.005 | 16.423 | 0.004 | 14.65 | 0.004 | 90 | null | 98.107 | 0.006 | 90 | null | 4,485 | 2 | 300 | 2 | 300 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C46 H38 N12 Ru S2 - | - C46 H38 N12 Ru S2 - | - C184 H152 N48 Ru4 S8 - | 4 | 0.5 | FG1686 | Seamans, Gary; Walsh, Jerry L.; Krawiec, Mariusz; Pennington, William T. | A ruthenium complex with 1,5-diphenyl-3-thiocarbazone (dithizone) as monodentate ligands: bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(dithizonato-κ<i>S</i>)ruthenium(II) | Acta Crystallographica Section C | 2,003 | 59 | 7 | m268 | m270 | 10.1107/S0108270103009338 | 0.7107 | MoKα | 0.1056 | 0.0708 | null | null | 0.1254 | 0.1387 | null | null | null | null | null | 1.08 | null | null | has coordinates,has Fobs | Seamans, Gary; Walsh, Jerry L.; Krawiec, Mariusz; Pennington, William T.
A ruthenium complex with 1,5-diphenyl-3-thiocarbazone (dithizone) as monodentate ligands: bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(dithizonato-κ<i>S</i>)ruthenium(II)
Acta Crystallographica Section C
59(7)
(2003)
m268-m270 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013425.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,426 | 7.1159 | 0.0006 | 10.7627 | 0.0011 | 12.1055 | 0.001 | 90 | null | 90 | null | 90 | null | 927.12 | 0.14 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (η^6^-Chlorobenzene)tricarbonylchromium | - C9 H5 Cl Cr O3 - | - C9 H5 Cl Cr O3 - | - C36 H20 Cl4 Cr4 O12 - | 4 | 1 | FG1692 | Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Warren, John E. | Tricarbonyl(η^6^-chlorobenzene)chromium | Acta Crystallographica Section C | 2,003 | 59 | 8 | m322 | m324 | 10.1107/S0108270103013787 | 0.71073 | MoKα | 0.1311 | 0.056 | null | null | 0.0823 | 0.0972 | null | null | null | null | null | 0.989 | null | null | has coordinates,has Fobs | Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Warren, John E.
Tricarbonyl(η^6^-chlorobenzene)chromium
Acta Crystallographica Section C
59(8)
(2003)
m322-m324 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013426.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,427 | 13.452 | 0.001 | 13.671 | 0.002 | 7.034 | 0.002 | 90 | null | 93.442 | 0.011 | 90 | null | 1,291.2 | 0.4 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H9 N5 O4 - | - C12 H9 N5 O4 - | - C48 H36 N20 O16 - | 4 | 1 | FG1694 | Hörner, Manfredo; Bresolin, Leandro.; Bordinhao, Jairo; Hartmann, Edmund.; Strähle, Joachim. | 1,3-Bis(4-nitrophenyl)triazene | Acta Crystallographica Section C | 2,003 | 59 | 8 | o426 | o427 | 10.1107/S0108270103012125 | 0.71073 | MoKα | null | 0.0384 | null | null | null | 0.1238 | null | null | null | null | null | 0.98 | null | null | has coordinates,has Fobs | Hörner, Manfredo; Bresolin, Leandro.; Bordinhao, Jairo; Hartmann, Edmund.; Strähle, Joachim.
1,3-Bis(4-nitrophenyl)triazene
Acta Crystallographica Section C
59(8)
(2003)
o426-o427 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013427.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,428 | 4.66 | 0.001 | 7.288 | 0.002 | 14.868 | 0.004 | 95.28 | 0.01 | 91.97 | 0.01 | 97.21 | 0.01 | 498.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Thioamide hydrazide of 4-N-methylamino-3-carbonic acid | Thioamide hydrazide of 4-N-methylamino-3-carbonic acid | - C5 H8 N6 O S2 - | - C5 H8 N6 O S2 - | - C10 H16 N12 O2 S4 - | 2 | 1 | FG1695 | Fonari, Marina S.; Simonov, Yurii A.; Lipkowski, Janusz; Yavolovskii, Arkadii A. | 1-(4-Methylamino-1,2,5-thiadiazole-3-carbonyl)thiosemicarbazide | Acta Crystallographica Section C | 2,003 | 59 | 9 | o491 | o493 | 10.1107/S0108270103014136 | 0.7107 | MoKα | 0.0651 | 0.0436 | null | null | 0.1005 | 0.1091 | null | null | null | null | null | 1.024 | null | null | has coordinates,has Fobs | Fonari, Marina S.; Simonov, Yurii A.; Lipkowski, Janusz; Yavolovskii, Arkadii A.
1-(4-Methylamino-1,2,5-thiadiazole-3-carbonyl)thiosemicarbazide
Acta Crystallographica Section C
59(9)
(2003)
o491-o493 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013428.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,429 | 11.7971 | 0.0006 | 11.5539 | 0.0007 | 15.313 | 0.001 | 90 | null | 106.956 | 0.002 | 90 | null | 1,996.5 | 0.2 | 123 | 2 | 123 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C36 H72 Mg2 N4 Na2 O - | - C36 H72 Mg2 N4 Na2 O - | - C72 H144 Mg4 N8 Na4 O2 - | 2 | 0.5 | FG1696 | Kennedy, Alan R.; MacLellan, Jonathan G.; Mulvey, Robert E. | A new Na/Mg inverse crown ether | Acta Crystallographica Section C | 2,003 | 59 | 8 | m302 | m303 | 10.1107/S0108270103011727 | 0.71073 | MoKα | 0.0902 | 0.0538 | null | null | 0.1223 | 0.141 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Kennedy, Alan R.; MacLellan, Jonathan G.; Mulvey, Robert E.
A new Na/Mg inverse crown ether
Acta Crystallographica Section C
59(8)
(2003)
m302-m303 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013429.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,430 | 10.48 | 0.002 | 13.783 | 0.002 | 9.758 | 0.002 | 90 | null | 90 | null | 90 | null | 1,409.5 | 0.4 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C6 H9 Cl4 N3 Sn - | - C6 H9 Cl4 N3 Sn - | - C24 H36 Cl16 N12 Sn4 - | 4 | 0.5 | FG1697 | Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H. | <i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all d... | Acta Crystallographica Section C | 2,003 | 59 | 9 | m361 | m365 | 10.1107/S0108270103012642 | 0.71073 | MoKα | 0.021 | 0.019 | null | 0.023 | null | 0.022 | null | null | 1.183 | null | null | 1.161 | null | null | has coordinates,has Fobs | Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.
<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonit... | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013430.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,431 | 11.274 | 0.002 | 13.822 | 0.002 | 21.606 | 0.003 | 90 | null | 90 | null | 90 | null | 3,366.8 | 0.9 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C9 H15 Cl4 N3 Sn - | - C9 H15 Cl4 N3 Sn - | - C72 H120 Cl32 N24 Sn8 - | 8 | 1 | FG1697 | Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H. | <i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all d... | Acta Crystallographica Section C | 2,003 | 59 | 9 | m361 | m365 | 10.1107/S0108270103012642 | 0.71073 | MoKα | 0.049 | 0.027 | null | 0.038 | null | 0.034 | null | null | 1.07 | null | null | 1.108 | null | null | has coordinates,has Fobs | Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.
<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonit... | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013431.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,432 | 15.912 | 0.003 | 12.316 | 0.003 | 16.638 | 0.004 | 90 | null | 107.478 | 0.003 | 90 | null | 3,110.1 | 1.2 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C8 H14 Cl4 N2 Sn - | - C8 H14 Cl4 N2 Sn - | - C64 H112 Cl32 N16 Sn8 - | 8 | 2 | FG1697 | Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H. | <i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all d... | Acta Crystallographica Section C | 2,003 | 59 | 9 | m361 | m365 | 10.1107/S0108270103012642 | 0.71073 | MoKα | 0.055 | 0.033 | null | 0.043 | null | 0.04 | null | null | 1.142 | null | null | 1.231 | null | null | has coordinates,has Fobs | Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.
<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonit... | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013432.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,433 | 10.099 | 0.0015 | 15.772 | 0.002 | 12.51 | 0.0019 | 90 | null | 104.719 | 0.003 | 90 | null | 1,927.2 | 0.5 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H22 Cl4 N2 Sn - | - C14 H22 Cl4 N2 Sn - | - C56 H88 Cl16 N8 Sn4 - | 4 | 1 | FG1697 | Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H. | <i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all d... | Acta Crystallographica Section C | 2,003 | 59 | 9 | m361 | m365 | 10.1107/S0108270103012642 | 0.71073 | MoKα | 0.026 | 0.021 | null | 0.031 | null | 0.03 | null | null | 1.084 | null | null | 1.104 | null | null | has coordinates,has Fobs | Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.
<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonit... | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013433.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,434 | 15.355 | 0.001 | 7.381 | 0.0006 | 18.083 | 0.002 | 90 | null | 104.977 | 0.002 | 90 | null | 1,979.8 | 0.3 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C16 H14 Cl4 N2 Sn - | - C16 H14 Cl4 N2 Sn - | - C64 H56 Cl16 N8 Sn4 - | 4 | 1 | FG1697 | Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H. | <i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all d... | Acta Crystallographica Section C | 2,003 | 59 | 9 | m361 | m365 | 10.1107/S0108270103012642 | 0.71073 | MoKα | 0.036 | 0.027 | null | 0.037 | null | 0.034 | null | null | 0.976 | null | null | 0.986 | null | null | has coordinates,has Fobs | Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.
<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonit... | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013434.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,435 | 17.966 | 0.001 | 10.089 | 0.001 | 10.055 | 0.001 | 90 | null | 104.97 | 0.01 | 90 | null | 1,760.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Pyrazolo[3,4-d]pyrimidine | 4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1H-pyrazolo[3,4-d]pyrimidine | - C17 H20 N4 O S2 - | - C17 H20 N4 O S2 - | - C68 H80 N16 O4 S8 - | 4 | 1 | FG1701 | Avasthi, Kamlakar; Bal, Chandralata; Sharon, Ashoke.; Maulik, Prakas R. | 4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine | Acta Crystallographica Section C | 2,003 | 59 | 9 | o494 | o495 | 10.1107/S0108270103015324 | 0.71073 | MoKα | 0.0797 | 0.0411 | null | null | 0.0857 | 0.1045 | null | null | null | null | null | 1.046 | null | null | has coordinates,has Fobs | Avasthi, Kamlakar; Bal, Chandralata; Sharon, Ashoke.; Maulik, Prakas R.
4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine
Acta Crystallographica Section C
59(9)
(2003)
o494-o495 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013435.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,436 | 22.454 | 0.01 | 13.341 | 0.006 | 27.271 | 0.013 | 90 | null | 113.701 | 0.014 | 90 | null | 7,480 | 6 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | di-μ-pivalamidato-bis[(1,10-phenanthroline)platinum(II)] dinitrate dihydrate | - C34 H40 N8 O10 Pt2 - | - C34 H36 N8 O10 Pt2 - | - C272 H288 N64 O80 Pt16 - | 8 | 1 | FG1705 | Sakai, Ken; Kurashima, Mai; Akiyama, Norinobu; Satoh, Naoki; Kajiwara, Takashi; Ito, Tasuku | A head-to-head isomer of di-μ-pivalamidato-κ^4^<i>N</i>,<i>O</i>-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II)] dinitrate dihydrate | Acta Crystallographica Section C | 2,003 | 59 | 9 | m345 | m349 | 10.1107/S0108270103015920 | 0.71073 | MoKα | 0.1416 | 0.0671 | null | null | 0.1039 | 0.1219 | null | null | null | null | null | 0.8 | null | null | has coordinates,has disorder,has Fobs | Sakai, Ken; Kurashima, Mai; Akiyama, Norinobu; Satoh, Naoki; Kajiwara, Takashi; Ito, Tasuku
A head-to-head isomer of di-μ-pivalamidato-κ^4^<i>N</i>,<i>O</i>-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II)] dinitrate dihydrate
Acta Crystallographica Section C
59(9)
(2003)
m345-m349 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013436.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,437 | 9.931 | 0.002 | 9.178 | 0.0018 | 15.97 | 0.003 | 90 | null | 96.71 | 0.03 | 90 | null | 1,445.6 | 0.5 | 298.4 | 0.2 | 298.4 | 0.2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | nickel(II) 2,2'-bipryidine-3,3'-dicarboxylate tetrahydrate | catena-Poly[[[triaquanickel(II)]-μ-2,2'-bipyridine-3,3'- dicarboxylato-κ^3^N,N':O)] monohydrate] | - C12 H14 N2 Ni O8 - | - C12 H14 N2 Ni O8 - | - C48 H56 N8 Ni4 O32 - | 4 | 1 | FR1420 | Zhang, Hong-Tao; Shao, Ting; Wang, Hua-Qin; You, Xiao-Zeng | A single-strand helical coordination polymer: <i>catena</i>-poly[[[triaquanickel(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>] monohydrate] | Acta Crystallographica Section C | 2,003 | 59 | 7 | m259 | m261 | 10.1107/S0108270103010163 | 0.71073 | MoKα | 0.073 | 0.0371 | null | null | 0.0782 | 0.0895 | null | null | null | null | null | 1.028 | null | null | has coordinates,has Fobs | Zhang, Hong-Tao; Shao, Ting; Wang, Hua-Qin; You, Xiao-Zeng
A single-strand helical coordination polymer: <i>catena</i>-poly[[[triaquanickel(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>] monohydrate]
Acta Crystallographica Section C
59(7)
(2003)
m259-m261 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013437.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,438 | 14.158 | 0.003 | 15.486 | 0.003 | 17.548 | 0.003 | 90 | null | 90 | null | 90 | null | 3,847.4 | 1.3 | 173 | 2 | 173 | 2 | null | null | null | null | 7 | P 21 21 21 | P 2ac 2ab | 19 | (Tetrahydrofuran)potassium Mer-[tris(carbazolyl)-trans-dichloro- (tetrahydrofurano)zirconate]. | - C44 H40 Cl2 K N3 O2 Zr - | - C44 H40 Cl2 K N3 O2 Zr - | - C176 H160 Cl8 K4 N12 O8 Zr4 - | 4 | 1 | FR1422 | Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C. | (Tetrahydrofuran)potassium <i>mer</i>-<i>trans</i>-tris(carbazolyl)dichloro(tetrahydrofuran)zirconate | Acta Crystallographica Section C | 2,003 | 59 | 7 | m275 | m276 | 10.1107/S0108270103010321 | 0.71073 | MoKα | 0.033 | 0.0283 | null | null | 0.0744 | 0.0779 | null | null | null | null | null | 1.074 | null | null | has coordinates,has Fobs | Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.
(Tetrahydrofuran)potassium <i>mer</i>-<i>trans</i>-tris(carbazolyl)dichloro(tetrahydrofuran)zirconate
Acta Crystallographica Section C
59(7)
(2003)
m275-m276 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013438.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,439 | 9.688 | 0.004 | 9.72 | 0.004 | 9.831 | 0.004 | 68.64 | 0.03 | 62.33 | 0.03 | 71.74 | 0.03 | 751.8 | 0.6 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C10 H12 Cu N4 O6 S2 - | - C10 H12 Cu N4 O6 S2 - | - C20 H24 Cu2 N8 O12 S4 - | 2 | 1 | FR1428 | Zhi-Yong Wu; Duan-Jun Xu; Yue Luo; Jing-Yun Wu; Michael Y. Chiang | (2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')copper(II) monohydrate | Acta Crystallographica Section C | 2,003 | 59 | 8 | m307 | m309 | 10.1107/S0108270103013581 | 0.71073 | MoKα | 0.059 | 0.032 | null | null | 0.083 | 0.093 | null | null | null | null | null | 1.033 | null | null | has coordinates,has Fobs | Zhi-Yong Wu; Duan-Jun Xu; Yue Luo; Jing-Yun Wu; Michael Y. Chiang
(2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')copper(II) monohydrate
Acta Crystallographica Section C
59(8)
(2003)
m307-m309 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013439.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,440 | 10.7189 | 0.0005 | 12.2191 | 0.0005 | 16.4816 | 0.0007 | 90 | null | 102.795 | 0.002 | 90 | null | 2,105.08 | 0.16 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Potassium 18-crown-6 dicyanoargentate(I) | Potassium 1,4,7,10,13,16-hexaoxacyclooctadecane dicyanoargentate(I) | - C14 H24 Ag K N2 O6 - | - C14 H24 Ag K N2 O6 - | - C56 H96 Ag4 K4 N8 O24 - | 4 | 1 | FR1429 | Schlueter, John A.; Geiser, Urs | Potassium dicyanoargentate(I) 1,4,7,10,13,16-hexaoxacyclooctadecane | Acta Crystallographica Section C | 2,003 | 59 | 8 | m325 | m327 | 10.1107/S0108270103014318 | 0.71073 | MoKα | 0.0665 | 0.0255 | null | null | 0.0661 | 0.0857 | null | null | null | null | null | 1.033 | null | null | has coordinates,has Fobs | Schlueter, John A.; Geiser, Urs
Potassium dicyanoargentate(I) 1,4,7,10,13,16-hexaoxacyclooctadecane
Acta Crystallographica Section C
59(8)
(2003)
m325-m327 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013440.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,441 | 5.7339 | 0.0007 | 14.8229 | 0.0015 | 23.469 | 0.002 | 90 | null | 90 | null | 90 | null | 1,994.7 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 2-methyl-4(4-bromophenyl)-thiazole | - C10 H8 Br N S - | - C10 H8 Br N S - | - C80 H64 Br8 N8 S8 - | 8 | 2 | GA1014 | Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Sánchez-Viesca, Francisco; Berros, Martha | 4-(4-Bromophenyl)-2-methyl-1,3-thiazole | Acta Crystallographica Section C | 2,003 | 59 | 7 | o360 | o362 | 10.1107/S0108270103009740 | 0.71073 | MoKα | 0.1583 | 0.0649 | null | null | 0.1269 | 0.1664 | null | null | null | null | null | 0.928 | null | null | has coordinates,has Fobs | Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Sánchez-Viesca, Francisco; Berros, Martha
4-(4-Bromophenyl)-2-methyl-1,3-thiazole
Acta Crystallographica Section C
59(7)
(2003)
o360-o362 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013441.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,442 | 10.252 | 0.001 | 12.131 | 0.0007 | 14.2226 | 0.0008 | 90 | null | 109.15 | 0.005 | 90 | null | 1,670.9 | 0.2 | 296 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C32 H40 Cu2 N4 O12 - | - C32 H40 Cu2 N4 O12 - | - C64 H80 Cu4 N8 O24 - | 2 | 0.5 | GA1016 | Gupta, Akhilesh Kumar; Kim, Jinkwon | Bis{μ-[6-(hydroxymethyl)-2-pyridyl]methanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>}bis{[2,6-bis(hydroxymethyl)pyridine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)} diacetate | Acta Crystallographica Section C | 2,003 | 59 | 7 | m262 | m264 | 10.1107/S0108270103009326 | 0.71073 | MoKα | 0.0485 | 0.0328 | null | null | 0.084 | 0.0961 | null | null | null | null | null | 1.065 | null | null | has coordinates,has Fobs | Gupta, Akhilesh Kumar; Kim, Jinkwon
Bis{μ-[6-(hydroxymethyl)-2-pyridyl]methanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>}bis{[2,6-bis(hydroxymethyl)pyridine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)} diacetate
Acta Crystallographica Section C
59(7)
(2003)
m262-m264 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013442.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,443 | 9.178 | 0.001 | 19.566 | 0.002 | 19.705 | 0.002 | 90 | null | 98.44 | 0.01 | 90 | null | 3,500.2 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P 1 21/n 1 | -P 2yn | 14 | Cis-{[1,4-(diphenylphosphine-P,P')butane] [μ-(tetrathiotungstate-S,S')]}Pd(II)0.5N,N'-dimethylformamide 0.5hydrate | - C29.5 H32.5 N0.5 O P2 Pd S4 W - | - C29.5 H32.5 N0.5 O P2 Pd S4 W - | - C118 H130 N2 O4 P8 Pd4 S16 W4 - | 4 | 1 | GA1018 | Liang, Kai; Li, Yi-Zhi; Zheng, He-Gen; Xin, Xin-Quan | <i>cis</i>-[1,4-Bis(diphenylphosphino)butane](μ-tetrathiotungstato)palladium(II) <i>N</i>,<i>N</i>'-dimethylformamide hemisolvate hemihydrate | Acta Crystallographica Section C | 2,003 | 59 | 8 | m310 | m312 | 10.1107/S0108270103013507 | 0.71073 | MoKα | 0.0635 | 0.0377 | null | null | 0.1018 | 0.1084 | null | null | null | null | null | 1.045 | null | null | has coordinates,has Fobs | Liang, Kai; Li, Yi-Zhi; Zheng, He-Gen; Xin, Xin-Quan
<i>cis</i>-[1,4-Bis(diphenylphosphino)butane](μ-tetrathiotungstato)palladium(II) <i>N</i>,<i>N</i>'-dimethylformamide hemisolvate hemihydrate
Acta Crystallographica Section C
59(8)
(2003)
m310-m312 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013443.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,444 | 9.7411 | 0.0008 | 9.7411 | 0.0008 | 17.108 | 0.002 | 90 | null | 90 | null | 90 | null | 1,623.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 42 21 2 | P 4n 2n | 94 | bis(2,6-bis(Benzimidazol-2-yl)pyridine)-zinc(ii) | - C38 H24 N10 Zn - | - C38 H24 N10 Zn - | - C76 H48 N20 Zn2 - | 2 | 0.25 | GA1020 | Miguel Angel Harvey; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio | Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinato-κ<i>N</i>]zinc(II) | Acta Crystallographica Section C | 2,003 | 59 | 7 | m283 | m285 | 10.1107/S0108270103011752 | 0.71073 | MoKα | 0.1159 | 0.0376 | null | null | 0.0688 | 0.078 | null | null | null | null | null | 0.862 | null | null | has coordinates,has Fobs | Miguel Angel Harvey; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio
Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinato-κ<i>N</i>]zinc(II)
Acta Crystallographica Section C
59(7)
(2003)
m283-m285 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013444.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,445 | 10.4 | 0.002 | 12.81 | 0.003 | 16 | 0.003 | 90 | null | 90 | null | 90 | null | 2,131.6 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (1R,3S)-1-monoamidocamphoric acid | (1S,3R)-3-Carbamoyl-2,2,3-trimethylcyclopentane-1-carboxylic acid | - C10 H17 N O3 - | - C10 H17 N O3 - | - C80 H136 N8 O24 - | 8 | 2 | GA1021 | Huang, Wei; Qian, Hui-Fen; Chen, Yi-Hu; Gou, Shao-Hua; Li, Yi-Zhi | (1<i>R</i>,3<i>S</i>)-1-Monoamidocamphoric acid | Acta Crystallographica Section C | 2,003 | 59 | 8 | o479 | o480 | 10.1107/S0108270103013349 | 0.71073 | MoKα | 0.0891 | 0.0461 | null | null | 0.0862 | 0.0957 | null | null | null | null | null | 0.867 | null | null | has coordinates,has Fobs | Huang, Wei; Qian, Hui-Fen; Chen, Yi-Hu; Gou, Shao-Hua; Li, Yi-Zhi
(1<i>R</i>,3<i>S</i>)-1-Monoamidocamphoric acid
Acta Crystallographica Section C
59(8)
(2003)
o479-o480 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013445.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,446 | 7.0626 | 0.0011 | 17.355 | 0.003 | 13.674 | 0.002 | 90 | null | 95.958 | 0.004 | 90 | null | 1,667 | 0.5 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 5,8-dimethoxy-2,3-bis(2-pyridyl)quinoxaline | - C20 H16 N4 O2 - | - C20 H16 N4 O2 - | - C80 H64 N16 O8 - | 4 | 1 | GA1023 | Xiao-Jun Zhao; Miao Du | 5,8-Dimethoxy-2,3-bis(2-pyridyl)quinoxaline | Acta Crystallographica Section C | 2,003 | 59 | 9 | o496 | o498 | 10.1107/S0108270103015750 | 0.71073 | MoKα | 0.0586 | 0.0383 | null | null | 0.0964 | 0.1075 | null | null | null | null | null | 1.026 | null | null | has coordinates,has Fobs | Xiao-Jun Zhao; Miao Du
5,8-Dimethoxy-2,3-bis(2-pyridyl)quinoxaline
Acta Crystallographica Section C
59(9)
(2003)
o496-o498 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013446.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,447 | 26.77 | 0.008 | 4.02 | 0.001 | 16.344 | 0.005 | 90 | null | 114.077 | 0.005 | 90 | null | 1,605.8 | 0.8 | 203 | 2 | 273 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 7-Bromo-8-hydroxyquinoline | 7-Bromo-8-hydroxyquinoline | - C9 H6 Br N O - | - C9 H6 Br N O - | - C72 H48 Br8 N8 O8 - | 8 | 1 | GA1024 | Collis, Gavin E.; Burrell, Anthony K.; John, Kevin D.; Plieger, Paul G. | 7-Bromoquinolin-8-ol | Acta Crystallographica Section C | 2,003 | 59 | 8 | o443 | o444 | 10.1107/S0108270103013714 | 0.71073 | MoKα | 0.0576 | 0.0492 | null | null | 0.122 | 0.127 | null | null | null | null | null | 1.109 | null | null | has coordinates,has Fobs | Collis, Gavin E.; Burrell, Anthony K.; John, Kevin D.; Plieger, Paul G.
7-Bromoquinolin-8-ol
Acta Crystallographica Section C
59(8)
(2003)
o443-o444 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013447.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,448 | 13.6532 | 0.0003 | 13.6532 | 0.0003 | 52.696 | 0.002 | 90 | null | 90 | null | 90 | null | 9,823.1 | 0.5 | 120 | 1 | 120 | 1 | null | null | null | null | 5 | I 41/a c d :2 | -I 4bd 2c | 142 | - C34 H52 Cd4 Fe3 N27 - | - C34 H52 Cd4 Fe3 N27 - | - C272 H416 Cd32 Fe24 N216 - | 8 | 0.25 | GD1248 | Miroslava Maľarová; Juraj Kuchár; Juraj Černák; Werner Massa | The three-dimensional coordination polymer tetraethylammonium (ethylenediamine)cadmium(II) hexacyanoferrate(III), (Et~4~N){[Cd(en)]~4~[Fe(CN)~6~]~3~} | Acta Crystallographica Section C | 2,003 | 59 | 7 | m280 | m282 | 10.1107/S0108270103010497 | 0.71073 | MoKα | 0.027 | 0.0232 | null | null | 0.0622 | 0.0635 | null | null | null | null | null | 1.031 | null | null | has coordinates,has disorder,has Fobs | Miroslava Maľarová; Juraj Kuchár; Juraj Černák; Werner Massa
The three-dimensional coordination polymer tetraethylammonium (ethylenediamine)cadmium(II) hexacyanoferrate(III), (Et~4~N){[Cd(en)]~4~[Fe(CN)~6~]~3~}
Acta Crystallographica Section C
59(7)
(2003)
m280-m282 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013448.cif $
#-------------------------------------------------------------------... | |||||||||||
2,013,449 | 11.5053 | 0.0002 | 18.5095 | 0.0003 | 7.1941 | 0.0001 | 90 | null | 106.933 | 0.001 | 90 | null | 1,465.62 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1-Ferrocenylisochromane | 1-Ferrocenylisochroman | - C19 H18 Fe O - | - C19 H18 Fe O - | - C76 H72 Fe4 O4 - | 4 | 1 | GD1251 | Cetina, Mario; Đaković, Senka; Rapić, Vladimir; Golobič, Amalija | Ferrocene compounds. XXXIX. 1-Ferrocenylisochromane | Acta Crystallographica Section C | 2,003 | 59 | 8 | m328 | m330 | 10.1107/S0108270103011703 | 0.71073 | MoKα | 0.0453 | 0.03 | null | null | 0.0698 | 0.076 | null | null | null | null | null | 1.029 | null | null | has coordinates,has Fobs | Cetina, Mario; Đaković, Senka; Rapić, Vladimir; Golobič, Amalija
Ferrocene compounds. XXXIX. 1-Ferrocenylisochromane
Acta Crystallographica Section C
59(8)
(2003)
m328-m330 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013449.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,450 | 12.264 | 0.0004 | 14.4674 | 0.0004 | 15.1532 | 0.0005 | 82.108 | 0.001 | 89.206 | 0.001 | 66.264 | 0.001 | 2,435.32 | 0.13 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | gossypol–cyclododecanone (1/2) | 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl-2,2'- binaphthalene-8,8'-dicarboxaldehyde–cyclododecanone (1/2) | - C54 H74 O10 - | - C54 H74 O10 - | - C108 H148 O20 - | 2 | 1 | GD1253 | Michael K. Dowd; Edwin D. Stevens | The gossypol–cyclododecanone (1<b>/</b>2) inclusion complex | Acta Crystallographica Section C | 2,003 | 59 | 7 | o397 | o399 | 10.1107/S0108270103011089 | 0.71073 | MoKα | 0.0781 | 0.0547 | null | null | 0.1492 | 0.1626 | null | null | null | null | null | 1.043 | null | null | has coordinates | Michael K. Dowd; Edwin D. Stevens
The gossypol–cyclododecanone (1<b>/</b>2) inclusion complex
Acta Crystallographica Section C
59(7)
(2003)
o397-o399 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013450.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,451 | 9.1517 | 0.0009 | 5.7886 | 0.0006 | 7.4034 | 0.0008 | 90 | null | 90 | null | 90 | null | 392.2 | 0.07 | 193 | 2 | 193 | 2 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | hydronium perchlorate | - Cl H3 O5 - | - Cl O5 - | - Cl4 O20 - | 4 | 0.5 | GD1256 | Azhar A. Rahman; Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun | Redetermination of hydronium perchlorate at 193 and 293K | Acta Crystallographica Section C | 2,003 | 59 | 9 | i92 | i94 | 10.1107/S0108270103010461 | 0.71073 | MoKα | 0.0479 | 0.0448 | null | null | 0.1148 | 0.1169 | null | null | null | null | null | 1.114 | null | null | has coordinates | Azhar A. Rahman; Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun
Redetermination of hydronium perchlorate at 193 and 293K
Acta Crystallographica Section C
59(9)
(2003)
i92-i94 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013451.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,452 | 9.2343 | 0.0015 | 5.8178 | 0.0009 | 7.4606 | 0.0012 | 90 | null | 90 | null | 90 | null | 400.81 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | hydronium perchlorate | - Cl H3 O5 - | - Cl O5 - | - Cl4 O20 - | 4 | 0.5 | GD1256 | Azhar A. Rahman; Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun | Redetermination of hydronium perchlorate at 193 and 293K | Acta Crystallographica Section C | 2,003 | 59 | 9 | i92 | i94 | 10.1107/S0108270103010461 | 0.71073 | MoKα | 0.0518 | 0.0467 | null | null | 0.1261 | 0.13 | null | null | null | null | null | 1.161 | null | null | has coordinates | Azhar A. Rahman; Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun
Redetermination of hydronium perchlorate at 193 and 293K
Acta Crystallographica Section C
59(9)
(2003)
i92-i94 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013452.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,453 | 7.72 | 0.0015 | 15.62 | 0.003 | 7.81 | 0.0016 | 90 | null | 113.95 | 0.03 | 90 | null | 860.7 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | diaaqua-pyridine-2,3-dicarboxylate cobalt (II) | catena- [diaqua(pyridine-2,3-dicarboxylato-κ^4^N:O,O',O')cobalt(II)] | - C7 H7 Co N O6 - | - C7 H7 Co N O6 - | - C28 H28 Co4 N4 O24 - | 4 | 1 | GD1261 | Zhang, Hong-Tao; Xiao-Zeng You | A one-dimensional zigzag coordination polymer of diaqua(pyridine-2,3-dicarboxylato)cobalt(II) | Acta Crystallographica Section C | 2,003 | 59 | 8 | m313 | m314 | 10.1107/S0108270103012551 | 0.71073 | MoKα | 0.0368 | 0.0227 | null | null | 0.057 | 0.0619 | null | null | null | null | null | 1.001 | null | null | has coordinates,has Fobs | Zhang, Hong-Tao; Xiao-Zeng You
A one-dimensional zigzag coordination polymer of diaqua(pyridine-2,3-dicarboxylato)cobalt(II)
Acta Crystallographica Section C
59(8)
(2003)
m313-m314 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013453.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,454 | 7.8435 | 0.0001 | 9.7218 | 0.0002 | 39.5921 | 0.0009 | 90 | null | 90 | null | 90 | null | 3,019.01 | 0.1 | 123 | 2 | 123 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | morphine di-(naphthalene-1-carboxylate) | - C39 H31 N O5 - | - C39 H31 N O5 - | - C156 H124 N4 O20 - | 4 | 1 | GD1262 | Gathergood, Nicholas; Scammells, Peter J.; Fallon, Gary D. | Inter- and intramolecular C—H···π interactions in morphine bis(1-naphthoate) | Acta Crystallographica Section C | 2,003 | 59 | 9 | o485 | o487 | 10.1107/S0108270103015622 | 0.71073 | MoKα | 0.1157 | 0.0506 | null | null | 0.0895 | 0.1117 | null | null | null | null | null | 1.029 | null | null | has coordinates,has Fobs | Gathergood, Nicholas; Scammells, Peter J.; Fallon, Gary D.
Inter- and intramolecular C—H···π interactions in morphine bis(1-naphthoate)
Acta Crystallographica Section C
59(9)
(2003)
o485-o487 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013454.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,455 | 6.941 | 0.003 | 7.277 | 0.003 | 26.418 | 0.01 | 90 | null | 90 | null | 90 | null | 1,334.4 | 0.9 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol | - C15 H13 N O4 - | - C15 H13 N O4 - | - C60 H52 N4 O16 - | 4 | 1 | GD1263 | Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F. | 2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole | Acta Crystallographica Section C | 2,003 | 59 | 9 | o516 | o519 | 10.1107/S0108270103015713 | 0.71069 | MoKα | 0.0386 | 0.0321 | null | null | 0.0806 | 0.0821 | null | null | null | null | null | 1.089 | null | null | has coordinates,has Fobs | Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F.
2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole
Acta Crystallographica Section C
59(9)
(2003)
o516-o519 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013455.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,456 | 12.027 | 0.013 | 10.706 | 0.014 | 31.76 | 0.03 | 90 | null | 102.11 | 0.08 | 90 | null | 3,998 | 8 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | I 1 2/c 1 | -I 2yc | 15 | 3-phenylanthranil | 3-Phenyl-2,1-benzoxazole | - C13 H9 N O - | - C13 H9 N O - | - C208 H144 N16 O16 - | 16 | 2 | GD1263 | Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F. | 2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole | Acta Crystallographica Section C | 2,003 | 59 | 9 | o516 | o519 | 10.1107/S0108270103015713 | 0.71073 | MoKα | 0.1526 | 0.0535 | null | null | 0.0909 | 0.1234 | null | null | null | null | null | 1.021 | null | null | has coordinates,has disorder,has Fobs | Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F.
2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole
Acta Crystallographica Section C
59(9)
(2003)
o516-o519 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013456.cif $
#-------------------------------------------------------------------... | |||||||||
2,013,457 | 21.627 | 0.004 | 3.804 | 0.001 | 11.605 | 0.002 | 90 | null | 90 | null | 90 | null | 954.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | 2-(3-pyridyl)-1,3,8-triazanaphthalene | - C12 H8 N4 - | - C12 H8 N4 - | - C48 H32 N16 - | 4 | 1 | GD1264 | Jan Janczak; Ryszard Kubiak | 2-(3-Pyridyl)-1,3,8-triazanaphthalene, a product of the catalytic transformation of 3-cyanopyridine | Acta Crystallographica Section C | 2,003 | 59 | 9 | o506 | o508 | 10.1107/S0108270103015701 | 0.71073 | MoKα | 0.0945 | 0.0505 | null | null | 0.0681 | 0.075 | null | null | null | null | null | 0.991 | null | null | has coordinates,has Fobs | Jan Janczak; Ryszard Kubiak
2-(3-Pyridyl)-1,3,8-triazanaphthalene, a product of the catalytic transformation of 3-cyanopyridine
Acta Crystallographica Section C
59(9)
(2003)
o506-o508 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013457.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,458 | 6.8603 | 0.001 | 11.248 | 0.002 | 12.804 | 0.003 | 90 | null | 100.29 | 0.013 | 90 | null | 972.1 | 0.3 | 146 | 2 | 146 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | ferricenyltrifluoroborate | - C10 H9 B F3 Fe - | - C10 H9 B F3 Fe - | - C40 H36 B4 F12 Fe4 - | 4 | 1 | GD1265 | Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias | The twinned structure of ferricenyltrifluoroborate | Acta Crystallographica Section C | 2,003 | 59 | 9 | m355 | m357 | 10.1107/S0108270103016895 | 0.71073 | MoKα | 0.0872 | 0.0663 | null | null | 0.1189 | 0.1273 | null | null | null | null | null | 1.296 | null | null | has coordinates,has Fobs | Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias
The twinned structure of ferricenyltrifluoroborate
Acta Crystallographica Section C
59(9)
(2003)
m355-m357 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013458.cif $
#-------------------------------------------------------------------... | ||||||||||
2,013,459 | 6.341 | 0.002 | 8.6092 | 0.001 | 13.083 | 0.002 | 76.011 | 0.01 | 84.03 | 0.02 | 78.26 | 0.02 | 677.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C13 H13 Cl N4 O2 - | - C13 H13 Cl N4 O2 - | - C26 H26 Cl2 N8 O4 - | 2 | 1 | GG1165 | Çoruh, Ufuk; Kahveci, Bahittin; Şaşmaz, Selami; Ag̃ar, Erbil; Youngme Kim; Erdönmez, Ahmet | C—H···O and C—H···π interactions in 1-acetyl-4-(<i>p</i>-chlorobenzylideneamino)-3-ethyl-4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one | Acta Crystallographica Section C | 2,003 | 59 | 8 | o476 | o478 | 10.1107/S010827010301326X | 0.71073 | MoKα | 0.0905 | 0.0487 | null | null | 0.1332 | 0.1442 | null | null | null | null | null | 1.043 | null | null | has coordinates,has Fobs | Çoruh, Ufuk; Kahveci, Bahittin; Şaşmaz, Selami; Ag̃ar, Erbil; Youngme Kim; Erdönmez, Ahmet
C—H···O and C—H···π interactions in 1-acetyl-4-(<i>p</i>-chlorobenzylideneamino)-3-ethyl-4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one
Acta Crystallographica Section C
59(8)
(2003)
o476-o478 | 301,798 | 2025-08-19 | 6:42:14 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/34/2013459.cif $
#-------------------------------------------------------------------... |