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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,006,753 | 22.5535 | 0.0001 | 10.4998 | 0.0001 | 12.1717 | 0.0002 | 90 | null | 96.116 | 0.001 | 90 | null | 2,865.94 | 0.06 | 173 | null | 173 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 1,1'-Bis(diphenylphosphine oxide)ferrocene Monohydrate at 173 K | - C34 H30 Fe O3 P2 - | - C34 H30 Fe O3 P2 - | - C136 H120 Fe4 O12 P8 - | 4 | 1 | AV1015 | Bolte, Michael; Naumann, Frank; Hashmi, A. Stephen K. | A New Modification of 1,1'-Bis(diphenylphosphine oxide)ferrocene at 173K | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1785 | 1786 | 10.1107/S0108270197011207 | 0.71073 | MoKα | 0.109 | 0.074 | null | 0.142 | 0.13 | null | null | null | 1.123 | 1.203 | 1.203 | null | null | null | has coordinates,has disorder,has Fobs | Bolte, Michael; Naumann, Frank; Hashmi, A. Stephen K.
A New Modification of 1,1'-Bis(diphenylphosphine oxide)ferrocene at 173K
Acta Crystallographica Section C
53(12)
(1997)
1785-1786 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006753.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,754 | 10.5075 | 0.0015 | 10.6251 | 0.0015 | 23.407 | 0.003 | 90 | null | 90 | null | 90 | null | 2,613.2 | 0.6 | 296 | null | 296 | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | [8S-[7[R*(R*)],8R*]]-7-[2-[[1-(ethoxycarbonyl)-3- phenylpropyl]-amino]-1-oxopropyl]-1,4-dithia-7- azaspiro[4.4]nonane-8-carboxylic acid hydrochloride | - C22 H33 Cl N2 O6 S2 - | - C22 H33 Cl N2 O6 S2 - | - C88 H132 Cl4 N8 O24 S8 - | 4 | 1 | BK1260 | Xu, Wei; Wahle, Mark C.; Stowell, Joseph G.; Byrn, Stephen R. | Spirapril Hydrochloride Hydrate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1917 | 1919 | 10.1107/S0108270197008287 | 0.71073 | MoKα | 0.061 | 0.04 | null | 0.108 | 0.092 | null | null | null | 1.09 | 1.052 | 1.052 | null | null | null | has coordinates,has disorder | Xu, Wei; Wahle, Mark C.; Stowell, Joseph G.; Byrn, Stephen R.
Spirapril Hydrochloride Hydrate
Acta Crystallographica Section C
53(12)
(1997)
1917-1919 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006754.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,755 | 14.493 | 0.002 | 14.493 | 0.002 | 10.191 | 0.002 | 90 | null | 90 | null | 120 | null | 1,853.8 | 0.5 | 130 | 2 | 130 | 2 | null | null | null | null | 5 | P 32 | P 32 | 145 | pyridinium trifluoroacetate | - C7 H6 F3 N O2 - | - C7 H6 F3 N O2 - | - C63 H54 F27 N9 O18 - | 9 | 3 | BK1317 | Palmore, G. Tayhas R.; McBride-Wieser, Mary T. | Pyridinium Trifluoroacetate: Spoked Columns of Hydrogen-Bonded Cyclic Dimers | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1904 | 1907 | 10.1107/S0108270197009414 | 0.71073 | MoKα | 0.0303 | 0.028 | null | 0.126 | 0.0734 | null | null | null | 1.057 | 1.069 | 1.069 | null | null | null | has coordinates | Palmore, G. Tayhas R.; McBride-Wieser, Mary T.
Pyridinium Trifluoroacetate: Spoked Columns of Hydrogen-Bonded Cyclic Dimers
Acta Crystallographica Section C
53(12)
(1997)
1904-1907 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006755.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,756 | 15.018 | 0.007 | 17.517 | 0.004 | 8.226 | 0.004 | 90 | null | 90 | null | 90 | null | 2,164 | 1.5 | 150 | null | 150 | null | null | null | null | null | 4 | F m m 2 | F 2 -2 | 42 | Bis[pentamethylcyclopentadiene]dibromothorium(IV) | - C20 H30 Br2 Th - | - C20 H30 Br2 Th - | - C80 H120 Br8 Th4 - | 4 | 0.25 | BK1342 | Rabinovich, Daniel; Schimek, George L.; Pennington, William T.; Nielsen, Jon B.; Abney, Kent D. | Dibromobis(η^5^-pentamethylcyclopentadienyl)thorium(IV) | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1794 | 1797 | 10.1107/S0108270197010056 | 0.71073 | MoKα | 0.0313 | 0.031 | null | 0.0342 | 0.034 | null | null | null | null | 2.28 | 2.28 | null | null | null | has coordinates | Rabinovich, Daniel; Schimek, George L.; Pennington, William T.; Nielsen, Jon B.; Abney, Kent D.
Dibromobis(η^5^-pentamethylcyclopentadienyl)thorium(IV)
Acta Crystallographica Section C
53(12)
(1997)
1794-1797 | 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/2/00/67/2006756.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,757 | 11.5747 | 0.0013 | 10.7639 | 0.0007 | 7.2556 | 0.0007 | 90 | null | 90 | null | 90 | null | 903.97 | 0.15 | 296 | null | 296 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | cadmium glutamate dihydrate | - C5 H11 Cd N O6 - | - C5 H11 Cd N O6 - | - C20 H44 Cd4 N4 O24 - | 4 | 1 | BK1343 | Tomlin, David W.; Cooper, Thomas M.; Cline, Stephen M.; Hughes, John M.; Adams, W. Wade | Cadmium Glutamate Dihydrate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1815 | 1816 | 10.1107/S0108270197009426 | 0.71073 | Mo | null | 0.014 | null | null | null | 0.02 | null | null | null | null | null | 0.91 | null | null | has coordinates | Tomlin, David W.; Cooper, Thomas M.; Cline, Stephen M.; Hughes, John M.; Adams, W. Wade
Cadmium Glutamate Dihydrate
Acta Crystallographica Section C
53(12)
(1997)
1815-1816 | 192,027 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-13 17:46:56 +0200 (Mon, 13 Feb 2017) $
#$Revision: 192027 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006757.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,758 | 7.027 | 0.004 | 12.436 | 0.003 | 14.39 | 0.004 | 90 | null | 93.95 | 0.04 | 90 | null | 1,254.5 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | 2,4-Dinitro-N,N-methylphenylamine | - C13 H11 N3 O4 - | - C13 H11 N3 O4 - | - C52 H44 N12 O16 - | 4 | 1 | BM1140 | Ellena, Javier; Punte, Graciela; Norma S. Nudelman | 2,4-Dinitro-<i>N</i>,<i>N</i>-methylphenylaniline | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1930 | 1932 | 10.1107/S0108270197007403 | 0.71073 | MoKα | 0.1037 | 0.0449 | null | 0.1574 | 0.107 | null | null | null | 1.102 | 1.079 | 1.079 | null | null | null | has coordinates | Ellena, Javier; Punte, Graciela; Norma S. Nudelman
2,4-Dinitro-<i>N</i>,<i>N</i>-methylphenylaniline
Acta Crystallographica Section C
53(12)
(1997)
1930-1932 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006758.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,145 | 23.6135 | 0.0012 | 7.8465 | 0.0003 | 16.8693 | 0.0009 | 90 | null | 130.44 | 0.004 | 90 | null | 2,378.8 | 0.2 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | <i>cyclo</i>-Tetrakis(μ~2~-3-sulfidopropyl- κ^3^<i>C</i>^1^,<i>S</i>:<i>S</i>)tetrakis[chloridocobalt(III)] | - C12 H24 Cl4 Co4 S4 - | - C12 H24 Cl4 Co4 S4 - | - C48 H96 Cl16 Co16 S16 - | 4 | 0.5 | SI2349 | Awan, Shafique Ahmad; Tahir, M. Nawaz; Muhammad, Iram Khushi; Ahmad, Saeed; Tariq, Muhammad Ilyas | <i>cyclo</i>-Tetrakis(μ~2~-3-sulfidopropyl-κ^3^<i>C</i>^1^,<i>S</i>:<i>S</i>)tetrakis[chloridocobalt(III)] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m576 | m577 | 10.1107/S1600536811013067 | 0.71073 | MoKα | 0.0518 | 0.0413 | null | null | 0.1143 | 0.1245 | null | null | null | null | null | 1.036 | null | null | has coordinates,has Fobs | Awan, Shafique Ahmad; Tahir, M. Nawaz; Muhammad, Iram Khushi; Ahmad, Saeed; Tariq, Muhammad Ilyas
<i>cyclo</i>-Tetrakis(μ~2~-3-sulfidopropyl-κ^3^<i>C</i>^1^,<i>S</i>:<i>S</i>)tetrakis[chloridocobalt(III)]
Acta Crystallographica Section E
67(5)
(2011)
m576-m577 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230145.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,759 | 5.717 | 0.01 | 10.051 | 0.013 | 29.07 | 0.03 | 90 | null | 90 | null | 90 | null | 1,670 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1,2-O-isopropylidene-5-O-p-tosyl-α-D-xylofuranose | - C15 H20 O7 S - | - C15 H20 O7 S - | - C60 H80 O28 S4 - | 4 | 1 | BM1152 | Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell | Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1939 | 1941 | 10.1107/S0108270197010810 | 0.71073 | MoKα | 0.106 | 0.0568 | null | 0.1484 | 0.1061 | null | null | null | 1.014 | 1.153 | 1.153 | null | null | null | has coordinates | Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell
Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses
Acta Crystallographica Section C
53(12)
(1997)
1939-1941 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006759.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,760 | 6.391 | 0.006 | 13.795 | 0.006 | 13.967 | 0.008 | 90 | null | 100.17 | 0.06 | 90 | null | 1,212 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 1,2-O-isopropylidene-3,5-di-O-p-tosyl-α-D-xylofuranose | - C22 H26 O9 S2 - | - C22 H26 O9 S2 - | - C44 H52 O18 S4 - | 2 | 1 | BM1152 | Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell | Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1939 | 1941 | 10.1107/S0108270197010810 | 0.71069 | MoKα | 0.1396 | 0.0605 | null | 0.1149 | 0.098 | null | null | null | 0.968 | 1.23 | 1.23 | null | null | null | has coordinates | Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell
Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses
Acta Crystallographica Section C
53(12)
(1997)
1939-1941 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006760.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,761 | 4.965 | 0.004 | 9.728 | 0.005 | 18.168 | 0.012 | 90 | null | 94.38 | 0.08 | 90 | null | 874.9 | 1 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 8-hydroxyquinoline-O-sulfuric acid | 8-hydroxyquinoline-O-sulfuric acid | - C9 H7 N O4 S - | - C9 H7 N O4 S - | - C36 H28 N4 O16 S4 - | 4 | 1 | BM1154 | Popek, Tomasz; Lis, Tadeusz | 8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1983 | 1986 | 10.1107/S0108270197011219 | 0.71069 | MoKα | 0.118 | 0.047 | null | 0.134 | 0.11 | null | null | null | 1.021 | 1.11 | 1.11 | null | null | null | has coordinates | Popek, Tomasz; Lis, Tadeusz
8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate
Acta Crystallographica Section C
53(12)
(1997)
1983-1986 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006761.cif $
#-------------------------------------------------------------------... | |||||||||
2,006,762 | 7.572 | 0.004 | 8.475 | 0.004 | 8.567 | 0.004 | 111.6 | 0.05 | 97.05 | 0.04 | 99.53 | 0.04 | 493.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 8-hydroxyquinoline-O-sulfuric acid monohydrate | 8-hydroxyquinoline-O-sulfuric acid monohydrate | - C9 H9 N O5 S - | - C9 H9 N O5 S - | - C18 H18 N2 O10 S2 - | 2 | 1 | BM1154 | Popek, Tomasz; Lis, Tadeusz | 8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1983 | 1986 | 10.1107/S0108270197011219 | 0.71069 | MoKα | 0.059 | 0.035 | null | 0.105 | 0.092 | null | null | null | 1.032 | 1.046 | 1.046 | null | null | null | has coordinates | Popek, Tomasz; Lis, Tadeusz
8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate
Acta Crystallographica Section C
53(12)
(1997)
1983-1986 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006762.cif $
#-------------------------------------------------------------------... | |||||||||
2,006,763 | 16.876 | 0.003 | 14.756 | 0.002 | 13.541 | 0.002 | 90 | null | 90 | null | 90 | null | 3,372 | 0.9 | 173 | 2 | 173 | null | null | null | null | null | 6 | P n m a | -P 2ac 2n | 62 | Tetrachlorocatecholatochlorotripyridyl indium(III) diethylether solvate | - C29 H35 Cl5 In N3 O4 - | - C29 H35 Cl5 In N3 O4 - | - C116 H140 Cl20 In4 N12 O16 - | 4 | 0.5 | BM1155 | Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J. | Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1805 | 1809 | 10.1107/S0108270197010901 | 0.71073 | MoKα | 0.0655 | 0.0456 | null | 0.1213 | 0.1062 | null | null | null | 1.169 | 1.167 | 1.167 | null | null | null | has coordinates | Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.
Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes
Acta Crystallographica Section C
53(12)
(1997)
1805-1809 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006763.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,764 | 25.504 | 0.007 | 17.64 | 0.007 | 18.572 | 0.004 | 90 | null | 106.99 | 0.02 | 90 | null | 7,991 | 4 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Tetrachlorocatecholatochloropyridyl(1,10-phenanthroline) gallium (III) pyridine solvate | - C40.5 H30.5 Cl5 Ga N6.5 O2 - | - C40.5 H30.5 Cl5 Ga N6.5 O2 - | - C324 H244 Cl40 Ga8 N52 O16 - | 8 | 1 | BM1155 | Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J. | Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1805 | 1809 | 10.1107/S0108270197010901 | 0.71073 | MoKα | 0.1085 | 0.0589 | null | 0.1812 | 0.1528 | null | null | null | 0.973 | 1.068 | 1.068 | null | null | null | has coordinates,has disorder | Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.
Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes
Acta Crystallographica Section C
53(12)
(1997)
1805-1809 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006764.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,144 | 13.9005 | 0.0004 | 5.8917 | 0.0001 | 19.9627 | 0.0005 | 90 | null | 106.01 | 0.0013 | 90 | null | 1,571.48 | 0.07 | 110 | null | 110 | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | Lithium difluoro(oxalato)borate tetramethylene sulfone disolvate | - C20 H32 B2 F4 Li2 O16 S4 - | - C20 H32 B2 F4 Li2 O16 S4 - | - C40 H64 B4 F8 Li4 O32 S8 - | 2 | 0.5 | SI2348 | Allen, Joshua L.; Boyle, Paul D.; Henderson, Wesley A. | Lithium difluoro(oxalato)borate tetramethylene sulfone disolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m533 | 10.1107/S1600536811011743 | 0.71073 | MoKα | 0.0829 | 0.0443 | null | null | 0.0963 | 0.1126 | null | null | null | null | null | 1.02 | null | null | has coordinates,has Fobs | Allen, Joshua L.; Boyle, Paul D.; Henderson, Wesley A.
Lithium difluoro(oxalato)borate tetramethylene sulfone disolvate
Acta Crystallographica Section E
67(5)
(2011)
m533 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230144.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,765 | 8.967 | 0.001 | 9.16 | 0.002 | 15.71 | 0.007 | 90 | null | 90 | null | 90 | null | 1,290.4 | 0.7 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | N-methyl Benzhydrylamine Hydrochloride | - C14 H16 Cl N - | - C14 H16 Cl N - | - C56 H64 Cl4 N4 - | 4 | 1 | BM1158 | Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch | <i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1913 | 1916 | 10.1107/S0108270197011359 | 0.71073 | MoKα | 0.0645 | 0.0367 | null | 0.0996 | 0.0818 | null | null | null | 1.081 | 1.048 | 1.048 | null | null | null | has coordinates | Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch
<i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride
Acta Crystallographica Section C
53(12)
(1997)
1913-1916 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006765.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,766 | 9.615 | 0.002 | 9.102 | 0.002 | 15.933 | 0.003 | 90 | null | 91.13 | 0.03 | 90 | null | 1,394.1 | 0.5 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | N-ethyl Benzhydrylamine Hydrochloride | - C15 H18 Cl N - | - C15 H18 Cl N - | - C60 H72 Cl4 N4 - | 4 | 2 | BM1158 | Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch | <i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1913 | 1916 | 10.1107/S0108270197011359 | 0.71073 | MoKα | 0.1071 | 0.0523 | null | 0.1163 | 0.0913 | null | null | null | 1.033 | 1.062 | 1.062 | null | null | null | has coordinates | Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch
<i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride
Acta Crystallographica Section C
53(12)
(1997)
1913-1916 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,767 | 7.3223 | 0.0007 | 7.6708 | 0.0006 | 13.216 | 0.001 | 105.062 | 0.009 | 92.139 | 0.008 | 110.002 | 0.009 | 667.03 | 0.11 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C30 H24 N10 O2 - | - C30 H24 N10 O2 - | - C30 H24 N10 O2 - | 1 | 0.5 | BM1161 | Nieuwenhuyzen, M.; Keyes, T. E.; Gallagher, J. F.; Vos, J. G. | A 2:1 Co-Crystal of Hydroquinone and 3,5-Bis(2-pyridyl)-1,2,4-triazole | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1873 | 1875 | 10.1107/S0108270197009670 | 0.71073 | MoKα | 0.076 | 0.048 | null | 0.123 | 0.107 | null | null | null | 1.036 | 1.083 | 1.083 | null | null | null | has coordinates | Nieuwenhuyzen, M.; Keyes, T. E.; Gallagher, J. F.; Vos, J. G.
A 2:1 Co-Crystal of Hydroquinone and 3,5-Bis(2-pyridyl)-1,2,4-triazole
Acta Crystallographica Section C
53(12)
(1997)
1873-1875 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,768 | 18.703 | 0.002 | 9.955 | 0.001 | 15.016 | 0.001 | 90 | null | 122.3 | 0.01 | 90 | null | 2,363.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | N-4-Nitrophenyl-trans-2-aminocyclohexanol | - C12 H16 N2 O3 - | - C12 H16 N2 O3 - | - C96 H128 N16 O24 - | 8 | 1 | BM1172 | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan | <i>N</i>-(4-Nitrophenyl)-<i>trans</i>-2-aminocyclohexanol | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1865 | 1867 | 10.1107/S0108270197010159 | 0.71073 | MoKα | 0.0971 | 0.0387 | null | 0.0956 | 0.08 | null | null | null | 0.817 | 1.035 | 1.035 | null | null | null | has coordinates | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan
<i>N</i>-(4-Nitrophenyl)-<i>trans</i>-2-aminocyclohexanol
Acta Crystallographica Section C
53(12)
(1997)
1865-1867 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,143 | 7.4623 | 0.0013 | 24.664 | 0.003 | 11.1997 | 0.0016 | 90 | null | 91.769 | 0.013 | 90 | null | 2,060.3 | 0.5 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Bis(2-phenylethylammonium) tetrachloridocobaltate(II) | - C16 H24 Cl4 Co N2 - | - C16 H24 Cl4 Co N2 - | - C64 H96 Cl16 Co4 N8 - | 4 | 1 | SI2347 | Oh, In-Hwan; Kim, Dahye; Huh, Young-Duk; Park, Younbong; Park, J. M. Sungil; Park, Seong-Hun | Bis(2-phenylethylammonium) tetrachloridocobaltate(II) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m522 | m523 | 10.1107/S1600536811011603 | 0.71073 | MoKα | 0.1348 | 0.0549 | null | null | 0.1171 | 0.1609 | null | null | null | null | null | 1.034 | null | null | has coordinates,has Fobs | Oh, In-Hwan; Kim, Dahye; Huh, Young-Duk; Park, Younbong; Park, J. M. Sungil; Park, Seong-Hun
Bis(2-phenylethylammonium) tetrachloridocobaltate(II)
Acta Crystallographica Section E
67(5)
(2011)
m522-m523 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230143.cif $
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2,006,769 | 9.233 | 0.001 | 15.283 | 0.001 | 7.448 | 0.001 | 90 | null | 98.08 | 0.01 | 90 | null | 1,040.54 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 5-Amino-1,6-dimethyl-quinol-2-one Monohydrate | - C11 H14 N2 O2 - | - C11 H14 N2 O2 - | - C44 H56 N8 O8 - | 4 | 1 | BM1174 | Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan | 5-Amino-1,6-dimethyl-1,2-dihydroquinolin-2-one Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1855 | 1857 | 10.1107/S0108270197010767 | 0.71073 | MoKα | 0.0502 | 0.039 | null | 0.1267 | 0.1208 | null | null | null | 1.07 | 1.18 | 1.18 | null | null | null | has coordinates | Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan
5-Amino-1,6-dimethyl-1,2-dihydroquinolin-2-one Monohydrate
Acta Crystallographica Section C
53(12)
(1997)
1855-1857 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,770 | 6.7468 | 0.0007 | 7.4849 | 0.0008 | 10.1537 | 0.001 | 84.349 | 0.002 | 76.61 | 0.001 | 74.816 | 0.002 | 481.01 | 0.09 | 180 | 2 | 180 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | catena-aquatri(μ-chloro)tetrahydrofuranlanthanum(III) | - C4 H10 Cl3 La O2 - | - C4 H9 Cl3 La O2 - | - C8 H18 Cl6 La2 O4 - | 2 | 1 | BM1180 | Woodman, Timothy J.; Errington, William; Willey, Gerald R. | Polymeric Aquatri-μ-chloro-(tetrahydrofuran-<i>O</i>)lanthanum(III) | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1801 | 1803 | 10.1107/S0108270197011165 | 0.71073 | MoKα | 0.0562 | 0.045 | null | null | null | 0.1085 | null | null | null | null | null | 1.042 | null | null | has coordinates | Woodman, Timothy J.; Errington, William; Willey, Gerald R.
Polymeric Aquatri-μ-chloro-(tetrahydrofuran-<i>O</i>)lanthanum(III)
Acta Crystallographica Section C
53(12)
(1997)
1801-1803 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006770.cif $
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2,006,771 | 29.896 | 0.002 | 4.1678 | 0.0004 | 28.487 | 0.002 | 90 | null | 117.742 | 0.002 | 90 | null | 3,141.5 | 0.4 | 180 | 2 | 180 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | [3-(4-Bromophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile | - C18 H14 Br N3 O - | - C18 H14 Br N3 O - | - C144 H112 Br8 N24 O8 - | 8 | 1 | BM1183 | Malhotra, Sanjay; Parmar, Virinder S.; Errington, William | [3-(4-Bromophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1885 | 1887 | 10.1107/S0108270197011384 | 0.71073 | MoKα | 0.081 | 0.05 | null | null | null | 0.112 | null | null | null | null | null | 1.156 | null | null | has coordinates,has Fobs | Malhotra, Sanjay; Parmar, Virinder S.; Errington, William
[3-(4-Bromophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile
Acta Crystallographica Section C
53(12)
(1997)
1885-1887 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,772 | 7.2909 | 0.0008 | 8.8019 | 0.001 | 9.5696 | 0.0011 | 66.754 | 0.002 | 73.835 | 0.002 | 77.082 | 0.002 | 537.44 | 0.11 | 180 | 2 | 180 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 5,7-Dimethoxy-6-hydroxy-4-methylcoumarin | - C12 H12 O5 - | - C12 H12 O5 - | - C24 H24 O10 - | 2 | 1 | BM1185 | Singh, Amarjit; Kumar, Rajesh; Parmar, Virinder S.; Errington, William | 6-Hydroxy-5,7-dimethoxy-4-methylcoumarin | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1966 | 1968 | 10.1107/S0108270197011785 | 0.71073 | MoKα | 0.079 | 0.057 | null | 0.119 | 0.138 | null | null | null | 1.15 | 1.15 | 1.15 | null | null | null | has coordinates | Singh, Amarjit; Kumar, Rajesh; Parmar, Virinder S.; Errington, William
6-Hydroxy-5,7-dimethoxy-4-methylcoumarin
Acta Crystallographica Section C
53(12)
(1997)
1966-1968 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,142 | 7.466 | 0.0015 | 8.63 | 0.0017 | 9.342 | 0.0019 | 97.71 | 0.03 | 95.63 | 0.03 | 92.61 | 0.03 | 592.5 | 0.2 | 295 | 2 | 295 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 2-Quinolin-2-yl-phenolic borodifluoridate | Difluoro[2-(quinolin-2-yl)phenolato]borane | - C15 H10 B F2 N O - | - C15 H10 B F2 N O - | - C30 H20 B2 F4 N2 O2 - | 2 | 1 | SI2346 | Yang, Xi; Xia, Min | Difluoro[2-(quinolin-2-yl)phenolato]borane | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1049 | 10.1107/S1600536811011895 | 0.71073 | MoKa | 0.0756 | 0.0401 | null | null | 0.1009 | 0.1265 | null | null | null | null | null | 1.128 | null | null | has coordinates,has Fobs | Yang, Xi; Xia, Min
Difluoro[2-(quinolin-2-yl)phenolato]borane
Acta Crystallographica Section E
67(5)
(2011)
o1049 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230142.cif $
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2,006,773 | 5.8346 | 0.0003 | 12.0877 | 0.0008 | 15.0908 | 0.0009 | 90 | null | 90 | null | 90 | null | 1,064.31 | 0.11 | 293 | null | 300 | null | null | null | null | null | 4 | I m m m | -I 2 2 | 71 | strontium doped hexa barium hepta magnesium fluoride | - Ba5.24 F26 Mg7 Sr0.76 - | - Ba5.26 F26 Mg7 Sr0.74 - | - Ba10.52 F52 Mg14 Sr1.48 - | 2 | 0.125 | BR1171 | Kubel, Frank; Hagemann, Hans; Bill, Hans | Mixed Ba~5.24~Sr~0.76~Mg~7~F~26~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1735 | 1738 | 10.1107/S0108270197009931 | 1.54183 | CuKα | 0.032 | 0.031 | null | 0.028 | 0.028 | null | null | null | 3.756 | 3.787 | 3.787 | null | null | null | has coordinates | Kubel, Frank; Hagemann, Hans; Bill, Hans
Mixed Ba~5.24~Sr~0.76~Mg~7~F~26~
Acta Crystallographica Section C
53(12)
(1997)
1735-1738 | 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/2/00/67/2006773.cif $
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2,006,774 | 9.332 | 0.003 | 9.332 | null | 11.264 | 0.002 | 90 | null | 90 | null | 120 | null | 849.5 | 0.3 | 296.2 | null | 296.2 | null | null | null | null | null | 3 | R -3 c :H | -R 3 2"c | 167 | tetra calcium platinum(IV) oxide | - Ca4 O6 Pt - | - Ca4 O6 Pt - | - Ca24 O36 Pt6 - | 6 | 0.166667 | BR1172 | Claridge, John Bleddyn; Layland, Ralph Charles; zur Loye, Hans-Conrad | Ca~4~PtO~6~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1740 | 1741 | 10.1107/S0108270197011700 | 0.7107 | MoKα | null | 0.0424 | null | null | 0.0494 | null | null | null | null | 3.282 | 3.282 | null | null | null | has coordinates | Claridge, John Bleddyn; Layland, Ralph Charles; zur Loye, Hans-Conrad
Ca~4~PtO~6~
Acta Crystallographica Section C
53(12)
(1997)
1740-1741 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,006,775 | 11.1104 | 0.0002 | 11.1104 | 0.0002 | 11.1104 | 0.0002 | 90 | null | 90 | null | 90 | null | 1,371.48 | 0.04 | 293 | null | 293 | null | null | null | null | null | 3 | F d -3 m :2 | -F 4vw 2vw 3 | 227 | iron tungsten nitride | - Fe3 N W3 - | - Fe2.5 N0.5 W6 - | - Fe40 N8 W96 - | 16 | 0.083333 | BR1183 | Weil, Kenneth S.; Kumta, Prashant N. | Fe~3~W~3~N: a Rietveld Refinement Using X-ray Powder Diffraction | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1745 | 1748 | 10.1107/S0108270197008305 | null | Cu | null | null | null | null | null | null | null | null | 1.3907 | null | null | null | null | null | has coordinates | Weil, Kenneth S.; Kumta, Prashant N.
Fe~3~W~3~N: a Rietveld Refinement Using X-ray Powder Diffraction
Acta Crystallographica Section C
53(12)
(1997)
1745-1748 | 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/2/00/67/2006775.cif $
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2,006,776 | 6.05098 | 0.00005 | 6.05098 | 0.00005 | 7.19498 | 0.00009 | 90 | null | 90 | null | 120 | null | 228.145 | 0.004 | 295 | null | 295 | null | null | null | null | null | 4 | P -3 m 1 | -P 3 2" | 164 | zinc dihydroxide divanadate dihydrate | - H6 O11 V2 Zn3 - | - H2 O10.9998 V2 Zn3 - | - H2 O10.9998 V2 Zn3 - | 1 | 0.083333 | BR1188 | Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley | A New Zinc Pyrovanadate, Zn~3~(OH)~2~V~2~O~7~.2H~2~O, from X-ray Powder Data | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1738 | 1739 | 10.1107/S0108270197009700 | 1.54056 | CuKα~1~ | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley
A New Zinc Pyrovanadate, Zn~3~(OH)~2~V~2~O~7~.2H~2~O, from X-ray Powder Data
Acta Crystallographica Section C
53(12)
(1997)
1738-1739 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006776.cif $
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2,006,777 | 9.515 | 0.001 | 12.782 | 0.001 | 16.467 | 0.002 | 83.94 | 0.01 | 88.95 | 0.01 | 80.68 | 0.01 | 1,965.2 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Tricyclohexylphosphinecarbondisulfide Tricyclohexylphosphinodithioformate, tricyclohexylphosphoniodithiocarboxylate, tricyclohexylphosphinemethanedithiolate, tricyclohexylphosphinodithiocarbamate, tricyclohexylphosphoniocarbodithioate, | Tricyclohexylphosphinodithioformate | - C19 H33 P S2 - | - C19 H33 P S2 - | - C76 H132 P4 S8 - | 4 | 2 | BS1026 | Vittal, Jagadese J.; Dean, Philip A.W. | Tricyclohexylphosphoniodithioformate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1879 | 1881 | 10.1107/S0108270197008755 | 0.71073 | MoKα | 0.0586 | 0.0436 | null | 0.1206 | 0.1139 | null | null | null | 0.978 | 1.068 | 1.068 | null | null | null | has coordinates | Vittal, Jagadese J.; Dean, Philip A.W.
Tricyclohexylphosphoniodithioformate
Acta Crystallographica Section C
53(12)
(1997)
1879-1881 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,778 | 8.91 | 0.002 | 3.973 | 0.004 | 37.261 | 0.002 | 90 | null | 92.9 | 0.01 | 90 | null | 1,317.3 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1-cyano-2-p-bromophenyl-1,8a-azulene | 1-cyano-2-p-bromophenyl-1,8a-azulene | - C17 H10 Br N - | - C17 H10 Br N - | - C68 H40 Br4 N4 - | 4 | 1 | BS1032 | Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert | 1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1907 | 1909 | 10.1107/S0108270197009839 | 1.54178 | CuKα | 0.0579 | 0.0376 | null | 0.1215 | 0.1088 | null | null | null | 1.141 | 1.191 | 1.191 | null | null | null | has coordinates | Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert
1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate
Acta Crystallographica Section C
53(12)
(1997)
1907-1909 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,779 | 7.441 | 0.006 | 41.869 | 0.006 | 5.934 | 0.007 | 90 | null | 90 | null | 90 | null | 1,849 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 2-azulene-methano-2-anthraquinoate | 2-azulene-methano-2-anthraquinoate | - C26 H16 O4 - | - C26 H16 O4 - | - C104 H64 O16 - | 4 | 1 | BS1032 | Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert | 1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1907 | 1909 | 10.1107/S0108270197009839 | 0.71069 | MoKα | 0.0836 | 0.0384 | null | 0.1234 | 0.0834 | null | null | null | 1.255 | 1.045 | 1.045 | null | null | null | has coordinates | Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert
1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate
Acta Crystallographica Section C
53(12)
(1997)
1907-1909 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006779.cif $
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2,006,780 | 21.3183 | 0.0005 | 5.6751 | 0.0002 | 22.505 | 0.0004 | 90 | null | 90 | null | 90 | null | 2,722.73 | 0.13 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | - C17 H16 O2 - | - C17 H16 O2 - | - C136 H128 O16 - | 8 | 2 | BS1033 | Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R. | α,α-Difluoro-β-lactone and its Non-Fluorinated Analog | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1923 | 1926 | 10.1107/S0108270197010020 | 0.71073 | MoKα | 0.059 | 0.048 | null | 0.113 | 0.104 | null | null | null | 1.08 | 1.08 | 1.08 | null | null | null | has coordinates | Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R.
α,α-Difluoro-β-lactone and its Non-Fluorinated Analog
Acta Crystallographica Section C
53(12)
(1997)
1923-1926 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,141 | 10.8654 | 0.0002 | 11.061 | 0.0002 | 19.1778 | 0.0003 | 90 | null | 90.8483 | 0.001 | 90 | null | 2,304.58 | 0.07 | 110 | null | 110 | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | (acetonitrile)~1~:lithium bis(trifluoromethanesulfonyl)imide | Poly[bis(acetonitrile-κ<i>N</i>)bis[μ~3~- bis(trifluoromethanesulfonyl)imido-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'': <i>O</i>''']dilithium] | - C8 H6 F12 Li2 N4 O8 S4 - | - C8 H6 F12 Li2 N4 O8 S4 - | - C32 H24 F48 Li8 N16 O32 S16 - | 4 | 1 | SI2342 | Seo, Daniel M.; Boyle, Paul D.; Henderson, Wesley A. | Poly[bis(acetonitrile-κ<i>N</i>)bis[μ~3~-bis(trifluoromethanesulfonyl)imido-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''']dilithium] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m534 | 10.1107/S1600536811011561 | 1.54178 | CuKα | 0.0459 | 0.0409 | null | null | 0.1043 | 0.1076 | null | null | null | null | null | 1.067 | null | null | has coordinates,has Fobs | Seo, Daniel M.; Boyle, Paul D.; Henderson, Wesley A.
Poly[bis(acetonitrile-κ<i>N</i>)bis[μ~3~-bis(trifluoromethanesulfonyl)imido-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''']dilithium]
Acta Crystallographica Section E
67(5)
(2011)
m534 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
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2,006,781 | 6.154 | 0.001 | 13.484 | 0.002 | 17.732 | 0.003 | 90 | null | 90 | null | 90 | null | 1,471.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C17 H14 F2 O2 - | - C17 H14 F2 O2 - | - C68 H56 F8 O8 - | 4 | 1 | BS1033 | Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R. | α,α-Difluoro-β-lactone and its Non-Fluorinated Analog | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1923 | 1926 | 10.1107/S0108270197010020 | 0.71073 | MoKα | 0.072 | 0.034 | null | 0.07 | 0.06 | null | null | null | 1.05 | 1.24 | 1.24 | null | null | null | has coordinates | Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R.
α,α-Difluoro-β-lactone and its Non-Fluorinated Analog
Acta Crystallographica Section C
53(12)
(1997)
1923-1926 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,782 | 8.87 | 0.002 | 11.956 | 0.003 | 13.699 | 0.003 | 90 | null | 103.48 | 0.02 | 90 | null | 1,412.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/m 1 | -P 2yb | 11 | - C20 H26 Cr N9 S4 - | - C20 H26 Cr N9 S4 - | - C40 H52 Cr2 N18 S8 - | 2 | 0.5 | BS1039 | María Teresa Garland; Ricardo F. Baggio; Florence Berezovsky; Jean Sala Pala | A Chromium(III) 2,2'-Bipyrimidine (bipym) Complex, (Et~4~N)[Cr(NCS)~4~(bipym)] | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1803 | 1805 | 10.1107/S0108270197010858 | 0.71073 | MoKα | 0.0809 | 0.046 | null | 0.1467 | 0.1062 | null | null | null | 0.982 | 0.999 | 0.999 | null | null | null | has coordinates | María Teresa Garland; Ricardo F. Baggio; Florence Berezovsky; Jean Sala Pala
A Chromium(III) 2,2'-Bipyrimidine (bipym) Complex, (Et~4~N)[Cr(NCS)~4~(bipym)]
Acta Crystallographica Section C
53(12)
(1997)
1803-1805 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006782.cif $
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2,006,783 | 11.578 | 0.005 | 22.385 | 0.01 | 13.062 | 0.006 | 90 | null | 104.21 | 0.04 | 90 | null | 3,282 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 1,3-di-(ethoxy-ethoxy-methoxy)calix[4]arene | - C38 H44 O8 - | - C38 H44 O8 - | - C152 H176 O32 - | 4 | 1 | CF1134 | Guelzim, Abdelhalim; Khrifi, Saâd; Baert, Francois; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques | 1,3-Di(ethoxy-ethoxy-methoxy)calix[4]arene | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1958 | 1960 | 10.1107/S0108270197007105 | 0.7107 | MoKα | 0.1157 | 0.0679 | null | 0.0636 | 0.0591 | null | null | null | 1.897 | 2.295 | 2.295 | null | null | null | has coordinates | Guelzim, Abdelhalim; Khrifi, Saâd; Baert, Francois; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques
1,3-Di(ethoxy-ethoxy-methoxy)calix[4]arene
Acta Crystallographica Section C
53(12)
(1997)
1958-1960 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,784 | 7.288 | 0.002 | 10.287 | 0.007 | 5.071 | 0.003 | 90 | null | 90 | null | 90 | null | 380.2 | 0.4 | 103 | null | 103 | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | pyrrole | 1-aza-cyclopentadiene | - C4 H5 N - | - C4 H5 N - | - C16 H20 N4 - | 4 | 0.5 | CF1172 | Richard Goddard; Oliver Heinemann; Carl Krüger | Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1846 | 1850 | 10.1107/S0108270197009682 | 0.71069 | MoKα | 0.0815 | 0.0584 | null | 0.1509 | 0.1436 | null | null | null | 0.97 | 1.104 | 1.104 | null | null | null | has coordinates | Richard Goddard; Oliver Heinemann; Carl Krüger
Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole
Acta Crystallographica Section C
53(12)
(1997)
1846-1850 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,785 | 9.3307 | 0.0001 | 19.372 | 0.003 | 3.6982 | 0.0009 | 90 | null | 90 | null | 90 | null | 668.47 | 0.19 | 193 | null | 193 | null | null | null | null | null | 3 | A m a 2 | A 2 -2a | 40 | 1,2,3-triazole | 1H-1,2,3-triazole 2H-1,2,3-triazole cocrystal | - C4 H6 N6 - | - C4 H6 N6 - | - C16 H24 N24 - | 4 | 0.5 | CF1172 | Richard Goddard; Oliver Heinemann; Carl Krüger | Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1846 | 1850 | 10.1107/S0108270197009682 | 0.71069 | MoKα | 0.0637 | 0.0588 | null | 0.1681 | 0.1624 | null | null | null | 1.14 | 1.157 | 1.157 | null | null | null | has coordinates | Richard Goddard; Oliver Heinemann; Carl Krüger
Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole
Acta Crystallographica Section C
53(12)
(1997)
1846-1850 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006785.cif $
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2,230,140 | 15.555 | 0.003 | 18.983 | 0.003 | 14.725 | 0.003 | 90 | null | 113.959 | 0.003 | 90 | null | 3,973.4 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | <i>trans</i>-Tetraaquabis[1,3-bis(4-pyridyl)propane-κ<i>N</i>]cobalt(II) biphenyl-4,4'-disulfonate monohydrate | - C38 H46 Co N4 O11 S2 - | - C38 H46 Co N4 O11 S2 - | - C152 H184 Co4 N16 O44 S8 - | 4 | 0.5 | RZ2587 | Liu, Guang-Xiang; Xu, Xu-Yong | <i>trans</i>-Tetraaquabis[1,3-bis(4-pyridyl)propane-κ<i>N</i>]cobalt(II) biphenyl-4,4'-disulfonate monohydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m651 | m652 | 10.1107/S1600536811015819 | 0.71073 | MoKα | 0.0658 | 0.0535 | null | null | 0.1261 | 0.1325 | null | null | null | null | null | 1.041 | null | null | has coordinates,has Fobs | Liu, Guang-Xiang; Xu, Xu-Yong
<i>trans</i>-Tetraaquabis[1,3-bis(4-pyridyl)propane-κ<i>N</i>]cobalt(II) biphenyl-4,4'-disulfonate monohydrate
Acta Crystallographica Section E
67(5)
(2011)
m651-m652 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230140.cif $
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2,006,786 | 8.779 | 0.001 | 9.942 | 0.002 | 12.385 | 0.002 | 71.84 | 0.01 | 74.2 | 0.01 | 87.29 | 0.01 | 987.5 | 0.3 | 110 | 3 | 110 | 3 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1,4,8,11-(tetra-2-carboxyethyl)-1,4,8,11-tetraazacyclotetradecane (H~2~TETP)^2-^, 2Na^+^.16H~2~O | H2TETP | - C22 H70 N4 Na2 O24 - | - C22 H70 N4 Na2 O24 - | - C22 H70 N4 Na2 O24 - | 1 | 0.5 | CF1178 | Valérie Dahaoui-Gindrey; Slimane Dahaoui; Claude Lecomte; Frédéric Barbette; Roger Guilard | Disodium Hexadecahydrate Diprotonated Form of 1,4,8,11-Tetra(2-carboxy)ethyl-1,4,8,11-tetraazacyclotetradecane (H~2~TETP)^2{-^} at 110 K | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1797 | 1799 | 10.1107/S0108270197009694 | 0.7107 | MoKα | null | 0.03 | null | null | 0.036 | null | null | null | null | 1.59 | 1.59 | null | null | null | has coordinates | Valérie Dahaoui-Gindrey; Slimane Dahaoui; Claude Lecomte; Frédéric Barbette; Roger Guilard
Disodium Hexadecahydrate Diprotonated Form of 1,4,8,11-Tetra(2-carboxy)ethyl-1,4,8,11-tetraazacyclotetradecane (H~2~TETP)^2{-^} at 110 K
Acta Crystallographica Section C
53(12)
(1997)
1797-1799 | 191,095 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 16:01:18 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191095 $
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2,006,787 | 6.286 | 0.002 | 7.698 | 0.002 | 18.144 | 0.005 | 90.65 | 0.02 | 91.92 | 0.03 | 96.51 | 0.03 | 871.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | α-Cyclohexyl-β-Methoxycarbonyl-γ-Lactame | - C19 H25 N O3 - | - C19 H25 N O3 - | - C38 H50 N2 O6 - | 2 | 1 | CF1182 | Ben Amor, Fatma; Beltaif, Imen; Besbes, Rafâa; Amri, Hassen | Methyl 1-Benzyl-3-cyclohexyl-2-oxopyrrolidine-2-carboxylate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1919 | 1921 | 10.1107/S0108270197010287 | 0.7107 | MoKα | 0.1045 | 0.0532 | null | 0.1503 | 0.1219 | null | null | null | 1.055 | 1.15 | 1.15 | null | null | null | has coordinates | Ben Amor, Fatma; Beltaif, Imen; Besbes, Rafâa; Amri, Hassen
Methyl 1-Benzyl-3-cyclohexyl-2-oxopyrrolidine-2-carboxylate
Acta Crystallographica Section C
53(12)
(1997)
1919-1921 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,788 | 15.005 | 0.005 | 6.829 | 0.005 | 17.749 | 0.005 | 90 | 0.005 | 102.25 | 0.005 | 90 | 0.005 | 1,777.3 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C15 H19 F3 N O3 P - | - C15 H19 F6 N O3 P - | - C60 H76 F24 N4 O12 P4 - | 4 | 1 | CF1184 | Benniston, Andrew C.; Yufit, Dmitrii S.; Mackie, Philip R. | A π-Stacked Complex Between 4,4'-Dimethyl-4,4'-bipyridinium Bis(hexafluorophosphate) and 1,5-Bis[(hydroxyethoxy)ethoxy]naphthalene | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1899 | 1901 | 10.1107/S0108270197011438 | 0.71069 | MoKα | 0.19 | 0.0761 | null | 0.2796 | 0.2026 | null | null | null | 1.032 | 1.178 | 1.178 | null | null | null | has coordinates | Benniston, Andrew C.; Yufit, Dmitrii S.; Mackie, Philip R.
A π-Stacked Complex Between 4,4'-Dimethyl-4,4'-bipyridinium Bis(hexafluorophosphate) and 1,5-Bis[(hydroxyethoxy)ethoxy]naphthalene
Acta Crystallographica Section C
53(12)
(1997)
1899-1901 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006788.cif $
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2,006,789 | 5.3861 | 0.0006 | 11.141 | 0.0011 | 27.411 | 0.003 | 90 | null | 93.433 | 0.008 | 90 | null | 1,641.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4-Methyl-8-hydroxy-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin | - C20 H18 O3 S - | - C20 H18 O3 S - | - C80 H72 O12 S4 - | 4 | 1 | CF1193 | Senthil Kumar; Kandasamy Chinnakali; Kandasamy Sivakumar; Hoong-Kun Fun; Kamaraj Sriraghavan | 8-Hydroxy-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1854 | 1855 | 10.1107/S0108270197011451 | 0.71073 | MoKα | 0.055 | 0.038 | null | 0.118 | 0.102 | null | null | null | 1.032 | 1.123 | 1.123 | null | null | null | has coordinates | Senthil Kumar; Kandasamy Chinnakali; Kandasamy Sivakumar; Hoong-Kun Fun; Kamaraj Sriraghavan
8-Hydroxy-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin
Acta Crystallographica Section C
53(12)
(1997)
1854-1855 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,139 | 9.1426 | 0.0005 | 14.3459 | 0.0008 | 16.6637 | 0.0009 | 108.348 | 0.001 | 102.695 | 0.001 | 103.649 | 0.001 | 1,910.71 | 0.18 | 100 | 0.1 | 100 | 0.1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | (3<i>E</i>,5<i>E</i>)-1-Acryloyl-3,5-bis(2-chlorobenzylidene)piperidin-4-one | - C22 H17 Cl2 N O2 - | - C22 H17 Cl2 N O2 - | - C88 H68 Cl8 N4 O8 - | 4 | 2 | RZ2586 | Basiri, Alireza; Murugaiyah, Vikneswaran; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun | (3<i>E</i>,5<i>E</i>)-1-Acryloyl-3,5-bis(2-chlorobenzylidene)piperidin-4-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1228 | o1229 | 10.1107/S1600536811015042 | 0.71073 | MoKα | 0.0583 | 0.0456 | null | null | 0.1204 | 0.1321 | null | null | null | null | null | 1.031 | null | null | has coordinates,has Fobs | Basiri, Alireza; Murugaiyah, Vikneswaran; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun
(3<i>E</i>,5<i>E</i>)-1-Acryloyl-3,5-bis(2-chlorobenzylidene)piperidin-4-one
Acta Crystallographica Section E
67(5)
(2011)
o1228-o1229 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,790 | 10.092 | 0.011 | 10.514 | 0.011 | 12.415 | 0.014 | 70.53 | 0.08 | 71.81 | 0.08 | 61.85 | 0.07 | 1,076 | 2 | 293 | null | 293 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | Chloro-bis(2,6-dimethyl piperidino)phosphoramide trichloroantimonate | - C14 H28 Cl4 N2 O P Sb - | - C14 H28 Cl4 N2 O P Sb - | - C28 H56 Cl8 N4 O2 P2 Sb2 - | 2 | 1 | DE1057 | Vijjulatha, M.; Kumara Swamy, K. C.; Huch, Volker; Veith, Michael | The 1:1 Antimony Trichloride Adduct of Chlorobis(2,6-dimethylpiperidin-1-yl)phosphine Oxide | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1789 | 1791 | 10.1107/S0108270197009487 | 0.71073 | MoKα | 0.0342 | 0.0322 | null | 0.0867 | 0.0853 | null | null | null | null | 1.147 | 1.147 | null | null | null | has coordinates | Vijjulatha, M.; Kumara Swamy, K. C.; Huch, Volker; Veith, Michael
The 1:1 Antimony Trichloride Adduct of Chlorobis(2,6-dimethylpiperidin-1-yl)phosphine Oxide
Acta Crystallographica Section C
53(12)
(1997)
1789-1791 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006790.cif $
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2,006,791 | 8.819 | 0.001 | 15.244 | 0.002 | 6.828 | 0.002 | 90 | null | 90 | null | 90 | null | 917.9 | 0.3 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Structure d'un Monophosphate synthétique de Magnésium et de Sodium: MgNaPO~4~ | - Mg3 Na3 O12 P3 - | - Mg3 Na3 O12 P3 - | - Mg12 Na12 O48 P12 - | 4 | 1 | DU1170 | Imura, Hiroshi; Kawahara, Akira | Structure d'un Monophosphate Synthétique de Magnésium et de Sodium: Mg~3~Na~3~(PO~4~)~3~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1733 | 1735 | 10.1107/S0108270197003211 | 0.7107 | MoKα | null | 0.055 | null | null | 0.046 | null | null | null | null | 1.26 | 1.26 | null | null | null | has coordinates | Imura, Hiroshi; Kawahara, Akira
Structure d'un Monophosphate Synthétique de Magnésium et de Sodium: Mg~3~Na~3~(PO~4~)~3~
Acta Crystallographica Section C
53(12)
(1997)
1733-1735 | 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/2/00/67/2006791.cif $
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2,006,792 | 14.2087 | 0.0001 | 20.3168 | 0.0003 | 19.8322 | 0.0002 | 90 | null | 110.085 | 0.0001 | 90 | null | 5,376.89 | 0.1 | 300 | 2 | 300 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Hexa[2,4,6-tri(isopropyl)thiophenolatogold(I)] Diethyl Ether Solvate | - C94 H148 Au6 O S6 - | - C90 H138 Au6 S6 - | - C180 H276 Au12 S12 - | 2 | 0.5 | FG1278 | LeBlanc, Daren J.; Lock, Colin J.L. | <i>cyclo</i>-Hexakis[(2,4,6-triisopropylthiophenolato-<i>S</i>:<i>S</i>)gold(I)] Diethyl Ether Solvate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1765 | 1768 | 10.1107/S010827019700930X | 0.71073 | MoKα | 0.1142 | 0.0533 | null | 0.1049 | 0.09 | null | null | null | 1.006 | 1.173 | 1.173 | null | null | null | has coordinates | LeBlanc, Daren J.; Lock, Colin J.L.
<i>cyclo</i>-Hexakis[(2,4,6-triisopropylthiophenolato-<i>S</i>:<i>S</i>)gold(I)] Diethyl Ether Solvate
Acta Crystallographica Section C
53(12)
(1997)
1765-1768 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006792.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,793 | 16.907 | 0.006 | 12.543 | 0.004 | 20.86 | 0.007 | 90 | null | 117.89 | 0.03 | 90 | null | 3,910 | 3 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | C 1 c 1 | C -2yc | 9 | 36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene sodium thiocyanate clathrate | - C39 H52 N3 Na O7 S - | - C39 H52 N3 Na O7 S - | - C156 H208 N12 Na4 O28 S4 - | 4 | 1 | FG1279 | Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng | Three Complexes of a [2.2]Cryptahemispherand | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1822 | 1827 | 10.1107/S0108270197009530 | 0.71073 | MoKα | 0.0951 | 0.0548 | null | 0.1516 | 0.1354 | null | null | null | 1.064 | 1.201 | 1.201 | null | null | null | has coordinates | Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng
Three Complexes of a [2.2]Cryptahemispherand
Acta Crystallographica Section C
53(12)
(1997)
1822-1827 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006793.cif $
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2,006,794 | 13.921 | 0.012 | 11.397 | 0.011 | 25.53 | 0.02 | 90 | null | 101.74 | 0.02 | 90 | null | 3,966 | 6 | 156 | null | 156 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | 36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene potassium thiocyanate monohydrate | - C39 H54 K N3 O8 S - | - C39 H54 K N3 O8 S - | - C156 H216 K4 N12 O32 S4 - | 4 | 1 | FG1279 | Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng | Three Complexes of a [2.2]Cryptahemispherand | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1822 | 1827 | 10.1107/S0108270197009530 | 0.71073 | MoKα | 0.2244 | 0.0642 | null | 0.2179 | 0.13 | null | null | null | 1.056 | 1.108 | 1.108 | null | null | null | has coordinates,has disorder | Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng
Three Complexes of a [2.2]Cryptahemispherand
Acta Crystallographica Section C
53(12)
(1997)
1822-1827 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006794.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,138 | 8.42828 | 0.00015 | 12.5953 | 0.0002 | 20.0578 | 0.0004 | 96.222 | 0.001 | 99.688 | 0.001 | 102.727 | 0.001 | 2,023.77 | 0.06 | 193 | 2 | 193 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | (5-Benzoyl-3,6-dimethoxynaphthalen-2-yl)(phenyl)methanone | - C26 H20 O4 - | - C26 H20 O4 - | - C104 H80 O16 - | 4 | 2 | RZ2585 | Kato, Yuichi; Nagasawa, Atsushi; Sasagawa, Kosuke; Okamoto, Akiko; Yonezawa, Noriyuki | (5-Benzoyl-3,6-dimethoxynaphthalen-2-yl)(phenyl)methanone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1250 | 10.1107/S160053681101508X | 1.54187 | CuKα | 0.0472 | 0.0393 | null | null | 0.1061 | 0.115 | null | null | null | null | null | 1.076 | null | null | has coordinates,has Fobs | Kato, Yuichi; Nagasawa, Atsushi; Sasagawa, Kosuke; Okamoto, Akiko; Yonezawa, Noriyuki
(5-Benzoyl-3,6-dimethoxynaphthalen-2-yl)(phenyl)methanone
Acta Crystallographica Section E
67(5)
(2011)
o1250 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230138.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,795 | 11.252 | 0.01 | 14.272 | 0.013 | 25.99 | 0.02 | 90 | null | 104.72 | 0.02 | 90 | null | 4,037 | 6 | 156 | null | 156 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | 36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene cesium perchlorate monohydrate C38 H52 Cs1 N2 O7 1+,Cl1 O4 1-,H2 O1 | - C38 H54 Cl Cs N2 O12 - | - C38 H54 Cl Cs N2 O12 - | - C152 H216 Cl4 Cs4 N8 O48 - | 4 | 1 | FG1279 | Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng | Three Complexes of a [2.2]Cryptahemispherand | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1822 | 1827 | 10.1107/S0108270197009530 | 0.71073 | MoKα | 0.164 | 0.0686 | null | 0.2265 | 0.1648 | null | null | null | 1.04 | 1.068 | 1.068 | null | null | null | has coordinates,has disorder | Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng
Three Complexes of a [2.2]Cryptahemispherand
Acta Crystallographica Section C
53(12)
(1997)
1822-1827 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006795.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,796 | 21.21 | 0.009 | 14.745 | 0.006 | 11.807 | 0.005 | 90 | null | 90 | null | 90 | null | 3,693 | 3 | 295 | 2 | 295 | 2 | null | null | null | null | 6 | P n m a | -P 2ac 2n | 62 | (33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.5.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene potassium thiocyanate | - C37 H48 K N3 O6 S - | - C37 H48 K N3 O6 S - | - C148 H192 K4 N12 O24 S4 - | 4 | 0.5 | FG1280 | Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng | A K^+^ Complex of a [2.1]Cryptahemispherand at 295K | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1832 | 1834 | 10.1107/S0108270197009542 | 0.7107 | MoKα | 0.1167 | 0.0755 | null | 0.2207 | 0.2016 | null | null | null | 1.071 | 1.228 | 1.228 | null | null | null | has coordinates | Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng
A K^+^ Complex of a [2.1]Cryptahemispherand at 295K
Acta Crystallographica Section C
53(12)
(1997)
1832-1834 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006796.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,797 | 7.835 | 0.0014 | 37.23 | 0.008 | 11.318 | 0.003 | 90 | 0.02 | 90 | 0.02 | 90 | 0.02 | 3,301.4 | 1.3 | 117 | 2 | 117 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | 33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo(17.8 .5.1^3,7^,1^8,12^.1^13,17^)pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(3 3)-nonaene-2,18-dione C36 H44 N2 O8 | - C36 H44 N2 O8 - | - C36 H44 N2 O8 - | - C144 H176 N8 O32 - | 4 | 1 | FG1281 | Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng | Two Isomeric [2.1]Cryptahemispherand Diamides | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1835 | 1838 | 10.1107/S0108270197009554 | 0.71073 | MoKα | 0.0781 | 0.061 | null | 0.1616 | 0.1462 | null | null | null | 1.05 | 1.086 | 1.086 | null | null | null | has coordinates,has disorder | Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng
Two Isomeric [2.1]Cryptahemispherand Diamides
Acta Crystallographica Section C
53(12)
(1997)
1835-1838 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006797.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,798 | 16.055 | 0.004 | 15.37 | 0.004 | 14.64 | 0.003 | 90 | 0.02 | 90 | 0.02 | 90 | 0.02 | 3,612.6 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | 33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.8.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene-2,18-dione) | - C36 H44 N2 O8 - | - C36 H44 N2 O8 - | - C144 H176 N8 O32 - | 4 | 0.5 | FG1281 | Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng | Two Isomeric [2.1]Cryptahemispherand Diamides | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1835 | 1838 | 10.1107/S0108270197009554 | 1.54184 | CuKα | 0.0687 | 0.0601 | null | 0.1724 | 0.1616 | null | null | null | 1.056 | 1.101 | 1.101 | null | null | null | has coordinates | Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng
Two Isomeric [2.1]Cryptahemispherand Diamides
Acta Crystallographica Section C
53(12)
(1997)
1835-1838 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006798.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,799 | 19.919 | 0.002 | 14.725 | 0.002 | 21.387 | 0.002 | 90 | null | 111.85 | 0.003 | 90 | null | 5,822.3 | 1.1 | 295 | null | 295 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 30,31,32-trimethoxy-5,10,15- trimethyl-22,27-dioxa-1,19-diazapentacyclo[17.5.5.1^3,7^.1^8,12^.1^13,17^]do triaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene sodium tetraphenylborate C34 H44 N2 Na1 O5 1+,C24 H20 B1 1- | - C58 H64 B N2 Na O5 - | - C58.8 H64 B Cl0.6 N2 Na O5.5 - | - C235.2 H256 B4 Cl2.4 N8 Na4 O22 - | 4 | 1 | FG1282 | Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng | An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1827 | 1832 | 10.1107/S0108270197009566 | 0.71073 | MoKα | 0.272 | 0.117 | null | 0.388 | 0.324 | null | null | null | 1.016 | 1.446 | 1.446 | null | null | null | has coordinates,has disorder | Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng
An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand
Acta Crystallographica Section C
53(12)
(1997)
1827-1832 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006799.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,137 | 4.4403 | 0.0003 | 11.4686 | 0.0008 | 31.2763 | 0.0019 | 90 | null | 90 | null | 90 | null | 1,592.72 | 0.18 | 100.01 | 0.01 | 100 | 0.1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 4-(2-{2-[2-(2-Nitro-1<i>H</i>-imidazol-1-yl)ethoxy]ethoxy}ethoxy)benzaldehyde | - C16 H19 N3 O6 - | - C16 H19 N3 O6 - | - C64 H76 N12 O24 - | 4 | 1 | RZ2583 | Li, Shu-Xian; Zhang, Da-Hai; Fun, Hoong-Kun; Hemamalini, Madhukar | 4-(2-{2-[2-(2-Nitro-1<i>H</i>-imidazol-1-yl)ethoxy]ethoxy}ethoxy)benzaldehyde | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1206 | 10.1107/S1600536811014322 | 0.71073 | MoKα | 0.0625 | 0.0474 | null | null | 0.089 | 0.0937 | null | null | null | null | null | 1.032 | null | null | has coordinates,has Fobs | Li, Shu-Xian; Zhang, Da-Hai; Fun, Hoong-Kun; Hemamalini, Madhukar
4-(2-{2-[2-(2-Nitro-1<i>H</i>-imidazol-1-yl)ethoxy]ethoxy}ethoxy)benzaldehyde
Acta Crystallographica Section E
67(5)
(2011)
o1206 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230137.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,800 | 15.605 | 0.011 | 15.799 | 0.007 | 15.023 | 0.007 | 90 | 0.04 | 94.43 | 0.05 | 90 | 0.05 | 3,693 | 4 | 115 | 2 | 115 | 2 | null | null | null | null | 6 | P 1 21/m 1 | -P 2yb | 11 | hexahydro-{(30,31,32-trimethoxy-5,10,15- trimethyl-22,27-dioxa-1,19-diazapentacyclo[17.5.5.1^3,7^.1^8,12^.1^13,17^] dotriaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene-N^1^:N^19^)} -di-boron (CH~2~Cl~2~ solvate) | - C34.5 H51 B2 Cl N2 O5 - | - C34.51 H49.74 B2 Cl1.02 N2 O5 - | - C138.04 H198.96 B8 Cl4.08 N8 O20 - | 4 | 1 | FG1282 | Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng | An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1827 | 1832 | 10.1107/S0108270197009566 | 0.71073 | MoKα | 0.135 | 0.077 | null | 0.183 | 0.158 | null | null | null | 1.034 | 1.193 | 1.193 | null | null | null | has coordinates | Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng
An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand
Acta Crystallographica Section C
53(12)
(1997)
1827-1832 | 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/2/00/68/2006800.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,801 | 11.5345 | 0.0001 | 13.7765 | 0.0002 | 15.1022 | 0.0001 | 90 | null | 90 | null | 90 | null | 2,399.82 | 0.04 | 300 | 2 | 300 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Piperidinium Bis(azido)triphenylstannates | - C23 H27 N7 Sn - | - C23 H27 N7 Sn - | - C92 H108 N28 Sn4 - | 4 | 1 | FG1297 | Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G. | Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1791 | 1794 | 10.1107/S010827019700958X | 0.71073 | MoKα | 0.0321 | 0.0247 | null | 0.0514 | null | 0.0484 | null | null | 1.069 | null | null | 1.066 | null | null | has coordinates | Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G.
Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate
Acta Crystallographica Section C
53(12)
(1997)
1791-1794 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006801.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,802 | 27.1533 | 0.0004 | 9.9162 | 0.0002 | 19.0714 | 0.0001 | 90 | null | 98.284 | 0.001 | 90 | null | 5,081.54 | 0.13 | 300 | 2 | 300 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Quinuclidinium bis(azido)triphenylstannates | - C25 H29 N7 Sn - | - C25 H29 N7 Sn - | - C200 H232 N56 Sn8 - | 8 | 2 | FG1297 | Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G. | Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1791 | 1794 | 10.1107/S010827019700958X | 0.71073 | MoKα | 0.0696 | 0.0402 | null | 0.1101 | null | 0.088 | null | null | 1.091 | null | null | 1.047 | null | null | has coordinates | Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G.
Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate
Acta Crystallographica Section C
53(12)
(1997)
1791-1794 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006802.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,803 | 6.437 | 0.0007 | 9.3798 | 0.0012 | 12.0427 | 0.0009 | 90 | null | 90 | null | 90 | null | 727.11 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3-Deoxy-D-fructose | 3-Deoxy-D-erythro-hexulose | - C6 H12 O5 - | - C6 H12 O5 - | - C24 H48 O20 - | 4 | 1 | FG1300 | Szarek, Walter A.; Roszak, Aleksander W.; Crone, Giselle M.; Martin, Olivier R. | 3-Deoxy-<small>D</small>-fructose | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1921 | 1923 | 10.1107/S0108270197009311 | 0.71069 | MoKα | 0.045 | 0.036 | null | 0.092 | 0.082 | null | null | null | 0.919 | 0.919 | 0.919 | null | null | null | has coordinates | Szarek, Walter A.; Roszak, Aleksander W.; Crone, Giselle M.; Martin, Olivier R.
3-Deoxy-<small>D</small>-fructose
Acta Crystallographica Section C
53(12)
(1997)
1921-1923 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006803.cif $
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2,230,136 | 14.875 | 0.004 | 13.908 | 0.003 | 8.088 | 0.002 | 90 | null | 90.11 | 0.02 | 90 | null | 1,673.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | <i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide monohydrate | <i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)butanediamide monohydrate | - C17 H19 Cl N2 O3 - | - C17 H19 Cl N2 O3 - | - C68 H76 Cl4 N8 O12 - | 4 | 1 | RZ2582 | Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme | <i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide monohydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1223 | 10.1107/S1600536811014942 | 0.71073 | MoKα | 0.2231 | 0.1154 | null | null | 0.2385 | 0.2853 | null | null | null | null | null | 1.144 | null | null | has coordinates,has Fobs | Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme
<i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide monohydrate
Acta Crystallographica Section E
67(5)
(2011)
o1223 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230136.cif $
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2,006,804 | 7.641 | 0.003 | 16.534 | 0.001 | 18.569 | 0.002 | 90 | null | 90 | null | 90 | null | 2,345.9 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Methyl 3β-bromine-7α-hydroxy-5β-cholan-24-oate | - C25 H41 Br O3 - | - C25 H41 Br O3 - | - C100 H164 Br4 O12 - | 4 | 1 | FG1305 | Dago Morales, Angel; Pomés Hernández, Ramón; Coll Manchado, Francisco; Pérez Gil, Roxana; Punte, Graciela; Echeverría, Gustavo | Methyl 3β-Bromine-7α-hydroxy-5β-cholan-24-oate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1881 | 1883 | 10.1107/S0108270197007464 | 0.71069 | MoKα | 0.2017 | 0.0501 | null | 0.1271 | 0.0771 | null | null | null | 1.169 | 1.169 | 1.169 | null | null | null | has coordinates | Dago Morales, Angel; Pomés Hernández, Ramón; Coll Manchado, Francisco; Pérez Gil, Roxana; Punte, Graciela; Echeverría, Gustavo
Methyl 3β-Bromine-7α-hydroxy-5β-cholan-24-oate
Acta Crystallographica Section C
53(12)
(1997)
1881-1883 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,805 | 11.1451 | 0.0012 | 12.5674 | 0.0008 | 15.5207 | 0.0012 | 95.374 | 0.008 | 105.384 | 0.008 | 92.095 | 0.009 | 2,082.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | diperylenium(1+) bis[1,4-dihydro-2,3-quinoxalinedithionato(2)S,S^'^]cuprate(III) | - C56 H32 Cu N4 S4 - | - C56 H32 Cu N4 S4 - | - C112 H64 Cu2 N8 S8 - | 2 | 1 | FG1309 | Santos, Isabel C.; Ayllon, José A.; Henriques, Rui T.; Almeida, Manuel; Alcácer, Luís; Duarte, M. Teresa | A New Perylene Salt: Diperylenium(1+) Bis[quinoxaline-2,3-dithiolato(2 ‒)-<i>S</i>,<i>S</i>']cuprate(III) | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1768 | 1770 | 10.1107/S0108270197007919 | 0.71069 | MoKα | 0.2108 | 0.0549 | null | 0.147 | 0.0861 | null | null | null | 1.128 | 1.095 | 1.095 | null | null | null | has coordinates | Santos, Isabel C.; Ayllon, José A.; Henriques, Rui T.; Almeida, Manuel; Alcácer, Luís; Duarte, M. Teresa
A New Perylene Salt: Diperylenium(1+) Bis[quinoxaline-2,3-dithiolato(2 ‒)-<i>S</i>,<i>S</i>']cuprate(III)
Acta Crystallographica Section C
53(12)
(1997)
1768-1770 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,806 | 12.786 | 0.002 | 10.29 | 0.002 | 13.095 | 0.002 | 90 | null | 118.7 | 0.01 | 90 | null | 1,511.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Famphur | O,O-Dimethyl-O-(p-(N,N-dimethylsulfamoyl)phenyl)phosphorothioate | - C10 H16 N O5 P S2 - | - C10 H16 N O5 P S2 - | - C40 H64 N4 O20 P4 S8 - | 4 | 1 | FG1316 | Baughman, Russell G. | Organophosphorus Insecticides. 18. Famphur: <i>O</i>,<i>O</i>-Dimethyl <i>O</i>-[<i>p</i>-(<i>N</i>,<i>N</i>-Dimethylsulfamoyl)phenyl] Phosphorothioate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1928 | 1929 | 10.1107/S0108270197011189 | 0.71073 | MoKα | 0.068 | 0.044 | null | 0.125 | 0.109 | null | null | null | 1.052 | 1.099 | 1.099 | null | null | null | has coordinates | Baughman, Russell G.
Organophosphorus Insecticides. 18. Famphur: <i>O</i>,<i>O</i>-Dimethyl <i>O</i>-[<i>p</i>-(<i>N</i>,<i>N</i>-Dimethylsulfamoyl)phenyl] Phosphorothioate
Acta Crystallographica Section C
53(12)
(1997)
1928-1929 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,807 | 10.955 | 0.002 | 11.186 | 0.002 | 6.221 | 0.002 | 97.13 | 0.02 | 100.69 | 0.02 | 79.52 | 0.02 | 733.4 | 0.3 | 170 | 1 | 170 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 5(R),7-(1(S)-hydroxybenzyl)-6-methyl-4-oxa-1-thiaspiro[5.4]dec-6-ene | - C16 H20 O2 S - | - C16 H20 O2 S - | - C32 H40 O4 S2 - | 2 | 1 | FG1317 | Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K. | Oxa-thia-spiro-decene Derivatives | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1961 | 1963 | 10.1107/S0108270197009591 | 0.71069 | MoKα | 0.0764 | 0.0459 | null | 0.1529 | 0.1219 | null | null | null | 1.001 | 1.009 | 1.009 | null | null | null | has coordinates | Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K.
Oxa-thia-spiro-decene Derivatives
Acta Crystallographica Section C
53(12)
(1997)
1961-1963 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,808 | 6.62 | 0.003 | 11.322 | 0.003 | 12.297 | 0.003 | 90 | null | 103.52 | 0.03 | 90 | null | 896.1 | 0.5 | 200 | 1 | 200 | 1 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 7-(1'-2-hydroxypropyl)-6-methyl-4-oxa-1-thiaspiro[5.4]dec-6-enyl p-methoxy benzoate | - C19 H24 O4 S - | - C19 H24 O4 S - | - C38 H48 O8 S2 - | 2 | 1 | FG1317 | Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K. | Oxa-thia-spiro-decene Derivatives | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1961 | 1963 | 10.1107/S0108270197009591 | 0.71069 | MoKα | 0.1169 | 0.0538 | null | 0.232 | 0.14 | null | null | null | 1.128 | 1.192 | 1.192 | null | null | null | has coordinates | Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K.
Oxa-thia-spiro-decene Derivatives
Acta Crystallographica Section C
53(12)
(1997)
1961-1963 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,809 | 7.065 | 0.002 | 7.199 | 0.001 | 9.726 | 0.002 | 105.61 | 0.01 | 103.46 | 0.01 | 99.61 | 0.01 | 449.21 | 0.17 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 2,4,5-trimethylbenzoic acid | - C10 H12 O2 - | - C10 H12 O2 - | - C20 H24 O4 - | 2 | 1 | FG1324 | Barcon, Alan; Coté, Marie L.; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A. | 2,4,5-Trimethylbenzoic Acid | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1842 | 1845 | 10.1107/S0108270197009335 | 0.71073 | MoKα | 0.092 | 0.05 | null | 0.149 | 0.122 | null | null | null | 1.025 | 1.106 | 1.106 | null | null | null | has coordinates | Barcon, Alan; Coté, Marie L.; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.
2,4,5-Trimethylbenzoic Acid
Acta Crystallographica Section C
53(12)
(1997)
1842-1845 | 211,196 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
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2,006,810 | 8.151 | 0.001 | 13.426 | 0.002 | 8.344 | 0.002 | 90 | null | 116.04 | 0.01 | 90 | null | 820.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (+\-)-3-Oxoindanecarboxylic Acid | (+\-)-2,3-Dihydro-3-oxo-1H-indenecarboxylic Acid | - C10 H8 O3 - | - C10 H8 O3 - | - C40 H32 O12 - | 4 | 1 | FG1331 | Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W. | (±)-2,3-Dihydro-3-oxo-1<i>H</i>-indenecarboxylic Acid: Hydrogen-Bonding Patterns in a γ-Keto Acid and its Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1838 | 1842 | 10.1107/S0108270197009608 | 0.71073 | MoKα | 0.098 | 0.056 | null | 0.147 | 0.124 | null | null | null | 1.03 | 1.12 | 1.12 | null | null | null | has coordinates | Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.
(±)-2,3-Dihydro-3-oxo-1<i>H</i>-indenecarboxylic Acid: Hydrogen-Bonding Patterns in a γ-Keto Acid and its Monohydrate
Acta Crystallographica Section C
53(12)
(1997)
1838-1842 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006810.cif $
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2,230,135 | 7.2322 | 0.0002 | 22.7311 | 0.0006 | 12.9299 | 0.0003 | 90 | null | 114.426 | 0.001 | 90 | null | 1,935.37 | 0.09 | 100 | 0.1 | 100 | 0.1 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | 4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2<i>H</i>- 1,3,4-thiadiazin-5-yl}-3-(4-methoxyphenyl)sydnone | 4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2<i>H</i>- 1,3,4-thiadiazin-5-yl}-3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate | - C19 H15 Cl N6 O3 S - | - C19 H15 Cl N6 O3 S - | - C76 H60 Cl4 N24 O12 S4 - | 4 | 1 | RZ2581 | Fun, Hoong-Kun; Loh, Wan-Sin; Nithinchandra; Kalluraya, Balakrishna | 4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin-5-yl}-3-(4-methoxyphenyl)sydnone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1175 | o1176 | 10.1107/S1600536811013900 | 0.71073 | MoKα | 0.0379 | 0.031 | null | null | 0.0838 | 0.0881 | null | null | null | null | null | 1.028 | null | null | has coordinates,has Fobs | Fun, Hoong-Kun; Loh, Wan-Sin; Nithinchandra; Kalluraya, Balakrishna
4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin-5-yl}-3-(4-methoxyphenyl)sydnone
Acta Crystallographica Section E
67(5)
(2011)
o1175-o1176 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230135.cif $
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2,006,811 | 5.984 | 0.001 | 7.763 | 0.001 | 11.086 | 0.001 | 107.29 | 0.01 | 105.32 | 0.01 | 93.12 | 0.01 | 469.27 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | (+\-)-3-Oxoindanecarboxylic Acid Monohydrate | (+\-)-2,3-Dihydro-3-oxo-1H-indenecaboxylic Acid Monohydrate | - C10 H10 O4 - | - C10 H10 O4 - | - C20 H20 O8 - | 2 | 1 | FG1331 | Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W. | (±)-2,3-Dihydro-3-oxo-1<i>H</i>-indenecarboxylic Acid: Hydrogen-Bonding Patterns in a γ-Keto Acid and its Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1838 | 1842 | 10.1107/S0108270197009608 | 0.71073 | MoKα | 0.121 | 0.056 | null | 0.15 | 0.117 | null | null | null | 1.03 | 1.148 | 1.148 | null | null | null | has coordinates | Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.
(±)-2,3-Dihydro-3-oxo-1<i>H</i>-indenecarboxylic Acid: Hydrogen-Bonding Patterns in a γ-Keto Acid and its Monohydrate
Acta Crystallographica Section C
53(12)
(1997)
1838-1842 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006811.cif $
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2,006,812 | 9.0207 | 0.0006 | 10.1127 | 0.0008 | 10.5364 | 0.001 | 90 | null | 111.809 | 0.006 | 90 | null | 892.38 | 0.13 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1-Ethyl-3-hydroxy-4,4-dimethyl-pyrrolidone-2 | - C8 H15 N O2 - | - C8 H15 N O2 - | - C32 H60 N4 O8 - | 4 | 1 | FG1349 | Hollenberg, Niels; Grahn, Walter; Jones, Peter G. | 1-Ethyl-3-hydroxy-4,4-dimethyl-2-pyrrolidone | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1851 | 1852 | 10.1107/S0108270197009347 | 0.71073 | MoKα | 0.047 | 0.037 | null | 0.103 | 0.099 | null | null | null | 1.05 | 1.131 | 1.131 | null | null | null | has coordinates | Hollenberg, Niels; Grahn, Walter; Jones, Peter G.
1-Ethyl-3-hydroxy-4,4-dimethyl-2-pyrrolidone
Acta Crystallographica Section C
53(12)
(1997)
1851-1852 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006812.cif $
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2,006,813 | 7.3743 | 0.0009 | 6.6684 | 0.0007 | 14.1803 | 0.0011 | 90 | null | 95.074 | 0.009 | 90 | null | 694.58 | 0.12 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | (5aS,7S)-7-Isopropenyl-3-methyl-1H-5a,6,7,8,9-pentahydro-1- oxopyrano[4,3-b][1]benzopyran | - C16 H18 O3 - | - C16 H18 O3 - | - C32 H36 O6 - | 2 | 1 | FG1352 | Hua, Duy H.; Chen, Yi; Robinson, Paul D.; Meyers, Cal Y. | (5a<i>S</i>,7<i>S</i>)-7-Isopropenyl-3-methyl-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-1-one | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1995 | 1997 | 10.1107/S0108270197011220 | 0.71069 | MoKα | 0.1022 | 0.0378 | null | 0.1151 | null | 0.0891 | null | null | 1.026 | 1.128 | 1.128 | null | null | null | has coordinates | Hua, Duy H.; Chen, Yi; Robinson, Paul D.; Meyers, Cal Y.
(5a<i>S</i>,7<i>S</i>)-7-Isopropenyl-3-methyl-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-1-one
Acta Crystallographica Section C
53(12)
(1997)
1995-1997 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,814 | 5.3498 | 0.0011 | 19.754 | 0.003 | 11.665 | 0.002 | 90 | null | 93.97 | 0.02 | 90 | null | 1,229.8 | 0.4 | 143 | 2 | 143 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 1-Aza-4-azoniabicyclo[2.2.2]octane Di(methanesulfonyl)amide | - C8 H19 N3 O4 S2 - | - C8 H19 N3 O4 S2 - | - C32 H76 N12 O16 S8 - | 4 | 1 | FG1353 | Henschel, Dagmar; Moers, Oliver; Blaschette, Armand; Jones, Peter G. | Polysulfonylamines. XCII. 1-Aza-4-azoniabicyclo[2.2.2]octane Di(methanesulfonyl)amidate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1877 | 1879 | 10.1107/S0108270197011633 | 0.71073 | MoKα | 0.066 | 0.045 | null | 0.117 | 0.103 | null | null | null | 1.033 | 1.049 | 1.049 | null | null | null | has coordinates | Henschel, Dagmar; Moers, Oliver; Blaschette, Armand; Jones, Peter G.
Polysulfonylamines. XCII. 1-Aza-4-azoniabicyclo[2.2.2]octane Di(methanesulfonyl)amidate
Acta Crystallographica Section C
53(12)
(1997)
1877-1879 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006814.cif $
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2,230,134 | 10.772 | 0.003 | 12.18 | 0.004 | 12.986 | 0.004 | 70.845 | 0.005 | 65.875 | 0.004 | 85.821 | 0.005 | 1,465.2 | 0.8 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 5-<i>tert</i>-Butyl 1-ethyl 3-amino-1,4,5,6-tetrahydropyrrolo[3,4-<i>c</i>]pyrazole-1,5-dicarboxylate | - C13 H20 N4 O4 - | - C13 H20 N4 O4 - | - C52 H80 N16 O16 - | 4 | 2 | RZ2580 | Xia, Wen-Bin; Bai, Xiao-Guang; Liu, Hong-Tao; Wang, Ju-Xian | 5-<i>tert</i>-Butyl 1-ethyl 3-amino-1,4,5,6-tetrahydropyrrolo[3,4-<i>c</i>]pyrazole-1,5-dicarboxylate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1150 | 10.1107/S1600536811013444 | 0.71073 | MoKα | 0.0655 | 0.0473 | null | null | 0.1164 | 0.1281 | null | null | null | null | null | 1.029 | null | null | has coordinates,has Fobs | Xia, Wen-Bin; Bai, Xiao-Guang; Liu, Hong-Tao; Wang, Ju-Xian
5-<i>tert</i>-Butyl 1-ethyl 3-amino-1,4,5,6-tetrahydropyrrolo[3,4-<i>c</i>]pyrazole-1,5-dicarboxylate
Acta Crystallographica Section E
67(5)
(2011)
o1150 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230134.cif $
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2,006,815 | 8.2035 | 0.0016 | 15.747 | 0.003 | 13.842 | 0.003 | 90 | null | 93.638 | 0.016 | 90 | null | 1,784.5 | 0.6 | 143 | 2 | 143 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | (1,2-Benzenedisulfonylimido-O)(1,4,7,10-tetraoxacyclododecane)lithium | - C14 H20 Li N O8 S2 - | - C14 H20 Li N O8 S2 - | - C56 H80 Li4 N4 O32 S8 - | 4 | 1 | FG1354 | Jones, Peter G.; Moers, Oliver; Blaschette, Armand | Polysulfonylamines. XCIII. (1,2-Benzenedisulfonylimido-<i>O</i>)(1,4,7,10-tetraoxacyclododecane-κ^4^<i>O</i>)lithium | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1809 | 1811 | 10.1107/S0108270197011232 | 0.71073 | MoKα | 0.045 | 0.0349 | null | 0.0851 | 0.0787 | null | null | null | 1.05 | 1.063 | 1.063 | null | null | null | has coordinates | Jones, Peter G.; Moers, Oliver; Blaschette, Armand
Polysulfonylamines. XCIII. (1,2-Benzenedisulfonylimido-<i>O</i>)(1,4,7,10-tetraoxacyclododecane-κ^4^<i>O</i>)lithium
Acta Crystallographica Section C
53(12)
(1997)
1809-1811 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,816 | 21.903 | 0.004 | 10.449 | 0.0014 | 10.1168 | 0.0014 | 90 | null | 107.298 | 0.012 | 90 | null | 2,210.7 | 0.6 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Bis(diphenylphosphino)methane Diselenide | - C25 H22 P2 Se2 - | - C25 H22 P2 Se2 - | - C100 H88 P8 Se8 - | 4 | 0.5 | FG1358 | Ahrens, Birte; Jones, Peter G. | A New Modification of Bis(diphenylphosphino)methane Diselenide | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1852 | 1854 | 10.1107/S0108270197011463 | 0.71073 | MoKα | 0.0587 | 0.0369 | null | 0.0936 | 0.0884 | null | null | null | 0.925 | 1.044 | 1.044 | null | null | null | has coordinates | Ahrens, Birte; Jones, Peter G.
A New Modification of Bis(diphenylphosphino)methane Diselenide
Acta Crystallographica Section C
53(12)
(1997)
1852-1854 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,817 | 7.372 | 0.005 | 7.688 | 0.005 | 10.76 | 0.008 | 83.56 | 0.05 | 81.6 | 0.04 | 67.46 | 0.04 | 556.2 | 0.7 | 143 | 2 | 143 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1,2-Benzenedisulfonylamine Acetonitrile Solvate (1/1) | - C8 H8 N2 O4 S2 - | - C8 H8 N2 O4 S2 - | - C16 H16 N4 O8 S4 - | 2 | 1 | FG1377 | Jones, Peter G.; Wirth, Andreas; Moers, Oliver; Blaschette, Armand | Polysulfonylamines. XCVIII. 1,2-Benzenedisulfonylamine Acetonitrile Solvate (1/1) | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1897 | 1899 | 10.1107/S0108270197012080 | 0.71073 | MoKα | 0.0452 | 0.0358 | null | 0.0901 | 0.0844 | null | null | null | 1.071 | 1.095 | 1.095 | null | null | null | has coordinates | Jones, Peter G.; Wirth, Andreas; Moers, Oliver; Blaschette, Armand
Polysulfonylamines. XCVIII. 1,2-Benzenedisulfonylamine Acetonitrile Solvate (1/1)
Acta Crystallographica Section C
53(12)
(1997)
1897-1899 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,818 | 11.645 | 0.002 | 11.645 | 0.002 | 38.273 | 0.008 | 90 | null | 90 | null | 120 | null | 4,494.7 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | R 3 2 :H | R 3 2" | 155 | Monoammonium bis(D-penicillaminato-S)aurate(I) 3.667 hydrate | - C10 H31.333 Au N3 O7.667 S2 - | - C10 H31.3333 Au N3 O7.66667 S2 - | - C90 H282 Au9 N27 O69 S18 - | 9 | 0.5 | FR1038 | LeBlanc, Daren J.; Britten, James F.; Wang, Zhixian; Howard-Lock, Helen E.; Lock, Colin J.L. | Monoammonium Bis(<small>D</small>-penicillaminato-<i>S</i>)aurate(I) 3.667-Hydrate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1763 | 1765 | 10.1107/S0108270197009724 | 0.56086 | AgKα | 0.0347 | 0.0277 | null | 0.0598 | 0.0581 | null | null | null | 0.995 | 1.031 | 1.031 | null | null | null | has coordinates,has disorder | LeBlanc, Daren J.; Britten, James F.; Wang, Zhixian; Howard-Lock, Helen E.; Lock, Colin J.L.
Monoammonium Bis(<small>D</small>-penicillaminato-<i>S</i>)aurate(I) 3.667-Hydrate
Acta Crystallographica Section C
53(12)
(1997)
1763-1765 | 187,340 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-10-14 14:37:28 +0300 (Fri, 14 Oct 2016) $
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2,006,819 | 7.996 | 0.001 | 20.776 | 0.002 | 9.761 | 0.001 | 90 | null | 101.32 | 0.01 | 90 | null | 1,590 | 0.3 | 291 | 2 | 291 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2'-hydroxy-4-N-methylstilbazonium iodide methanol solvate | 1-methyl-4-(2-(2-hydroxyphenyl)vinyl)pyridium iodide methanol solvate | - C15 H18 I N O2 - | - C15 H18 I N O2 - | - C60 H72 I4 N4 O8 - | 4 | 1 | FR1059 | Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-Bei | 2'-Hydroxy-4-<i>N</i>-methylstilbazonium Iodide Methanol Solvate, C~14~H~14~NO^+^.I^{-^}.CH~3~OH | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1895 | 1897 | 10.1107/S0108270197010342 | 0.71073 | MoKα | 0.044 | 0.027 | null | 0.065 | 0.061 | null | null | null | 0.989 | 1.128 | 1.128 | null | null | null | has coordinates | Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-Bei
2'-Hydroxy-4-<i>N</i>-methylstilbazonium Iodide Methanol Solvate, C~14~H~14~NO^+^.I^{-^}.CH~3~OH
Acta Crystallographica Section C
53(12)
(1997)
1895-1897 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,133 | 5.7422 | 0.0006 | 9.8022 | 0.001 | 25.504 | 0.003 | 90 | null | 90 | null | 90 | null | 1,435.5 | 0.3 | 100 | null | 100 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (<i>E</i>)-1-(4-Aminophenyl)-3-(naphthalen-2-yl)prop-2-en-1-one | - C19 H15 N O - | - C19 H15 N O - | - C76 H60 N4 O4 - | 4 | 1 | RZ2579 | Kobkeatthawin, Thawanrat; Chantrapromma, Suchada; Saewan, Nisakorn; Fun, Hoong-Kun | (<i>E</i>)-1-(4-Aminophenyl)-3-(naphthalen-2-yl)prop-2-en-1-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1204 | o1205 | 10.1107/S1600536811014024 | 0.71073 | MoKα | 0.0711 | 0.0571 | null | null | 0.1139 | 0.1193 | null | null | null | null | null | 1.144 | null | null | has coordinates,has Fobs | Kobkeatthawin, Thawanrat; Chantrapromma, Suchada; Saewan, Nisakorn; Fun, Hoong-Kun
(<i>E</i>)-1-(4-Aminophenyl)-3-(naphthalen-2-yl)prop-2-en-1-one
Acta Crystallographica Section E
67(5)
(2011)
o1204-o1205 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,006,820 | 8.584 | 0.001 | 16.066 | 0.003 | 16.097 | 0.002 | 90 | null | 92.93 | 0.01 | 90 | null | 2,217 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | methyl 3',6'-bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate | - C26 H22 Cl2 O4 - | - C26 H22 Cl2 O4 - | - C104 H88 Cl8 O16 - | 4 | 1 | FR1060 | Pakhomova, Svetlana; Kratochvíl, Bohumil; Lellek, Vít; Stibor, Ivan | Methyl 3',6'-Bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1871 | 1873 | 10.1107/S0108270197010172 | 1.54187 | CuKα | 0.0718 | 0.0664 | null | 0.2026 | 0.1892 | null | null | null | 1.054 | 1.083 | 1.083 | null | null | null | has coordinates | Pakhomova, Svetlana; Kratochvíl, Bohumil; Lellek, Vít; Stibor, Ivan
Methyl 3',6'-Bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate
Acta Crystallographica Section C
53(12)
(1997)
1871-1873 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,821 | 6.105 | 0.0006 | 6.252 | 0.0006 | 14.547 | 0.001 | 90 | 0.009 | 90 | 0.009 | 90 | 0.009 | 555.24 | 0.09 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C6 H7 N O - | - C6 H7 N O - | - C24 H28 N4 O4 - | 4 | 1 | FR1062 | Suchod, Bernadette; Lajzerowicz, Janine; Collet, André | ({-})-2-Azabicyclo[2.2.1]hept-5-en-3-one (Lactam) | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1911 | 1912 | 10.1107/S0108270197011311 | 0.71073 | MoKα | 0.057 | 0.057 | null | 0.028 | 0.028 | null | null | null | 3.274 | 3.274 | 3.274 | null | null | null | has coordinates | Suchod, Bernadette; Lajzerowicz, Janine; Collet, André
({-})-2-Azabicyclo[2.2.1]hept-5-en-3-one (Lactam)
Acta Crystallographica Section C
53(12)
(1997)
1911-1912 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,822 | 8.584 | 0.002 | 8.893 | 0.002 | 13.851 | 0.003 | 106.94 | 0.02 | 101.9 | 0.02 | 96.5 | 0.02 | 972.6 | 0.4 | 296 | null | 296 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1,4,5,8-naphthalenetetracarboxylic acid cyclic 1,8-anhydride . 2 dimethyl sulfoxide | - C18 H18 O9 S2 - | - C18 H18 O9 S2 - | - C36 H36 O18 S4 - | 2 | 1 | FR1073 | Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E. | 1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1991 | 1995 | 10.1107/S0108270197011712 | 0.7093 | MoKα | null | 0.052 | null | null | null | 0.04 | null | null | null | null | null | 2.09 | null | null | has coordinates | Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.
1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride
Acta Crystallographica Section C
53(12)
(1997)
1991-1995 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,823 | 7.88 | 0.002 | 5.322 | 0.001 | 12.6012 | 0.0009 | 90 | null | 107.257 | 0.009 | 90 | null | 504.67 | 0.17 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 1,4,5,8-naphthalenetetracarboxylic-1,8:4,5-dianhydride | - C14 H4 O6 - | - C14 H4 O6 - | - C28 H8 O12 - | 2 | 0.5 | FR1073 | Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E. | 1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1991 | 1995 | 10.1107/S0108270197011712 | 0.71073 | MoKα | null | 0.051 | null | null | null | 0.053 | null | null | null | null | null | 1.79 | null | null | has coordinates | Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.
1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride
Acta Crystallographica Section C
53(12)
(1997)
1991-1995 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,132 | 14.79 | 0.003 | 10.432 | 0.002 | 13.155 | 0.003 | 90 | null | 103.84 | 0.03 | 90 | null | 1,970.7 | 0.8 | 294 | 2 | 294 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | 3-(5-Chloronaphthalene-1-sulfonamido)-2-(2-hydroxyethyl)-4,5,6,7-tetrahydro- 2<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridin-5-ium chloride | - C18 H20 Cl2 N4 O3 S - | - C18 H20 Cl2 N4 O3 S - | - C72 H80 Cl8 N16 O12 S4 - | 4 | 1 | RZ2578 | Bai, Xiao-Guang; Liu, Hong-Tao; Wang, Yu-Cheng; Wang, Ju-Xian | 3-(5-Chloronaphthalene-1-sulfonamido)-2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-2<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridin-5-ium chloride | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1103 | 10.1107/S1600536811012967 | 0.71073 | MoKα | 0.0521 | 0.041 | null | null | 0.0926 | 0.0974 | null | null | null | null | null | 1.084 | null | null | has coordinates,has Fobs | Bai, Xiao-Guang; Liu, Hong-Tao; Wang, Yu-Cheng; Wang, Ju-Xian
3-(5-Chloronaphthalene-1-sulfonamido)-2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-2<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridin-5-ium chloride
Acta Crystallographica Section E
67(5)
(2011)
o1103 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,006,824 | 8.48 | 0.001 | 9.336 | 0.001 | 11.187 | 0.001 | 90 | null | 98.351 | 0.002 | 90 | null | 876.28 | 0.16 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | (±)-cis-2-phenylcyclopropanecarboxylic acid | (±)-cis-2-phenylcyclopropanecarboxylic acid | - C10 H10 O2 - | - C10 H10 O2 - | - C40 H40 O8 - | 4 | 1 | FR1081 | Gerkin, Roger E. | Hydrogen Bonding and Ring Asymmetry in (±)-<i>cis</i>-2-Phenylcyclopropanecarboxylic Acid | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1989 | 1991 | 10.1107/S0108270197011104 | 0.71073 | MoKα | null | 0.06 | null | null | null | 0.08 | null | null | null | null | null | 1.39 | null | null | has coordinates | Gerkin, Roger E.
Hydrogen Bonding and Ring Asymmetry in (±)-<i>cis</i>-2-Phenylcyclopropanecarboxylic Acid
Acta Crystallographica Section C
53(12)
(1997)
1989-1991 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,825 | 18.012 | 0.002 | 18.039 | 0.002 | 7.579 | 0.001 | 90 | null | 90 | null | 90 | null | 2,462.6 | 0.5 | 296 | null | 296 | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | 1,4-dimethoxynaphthalene-2,5-dicarboxylic acid | 1,4-dimethoxynaphthalene-2,5-dicarboxylic acid | - C14 H12 O6 - | - C14 H12 O6 - | - C112 H96 O48 - | 8 | 1 | FR1083 | Gerkin, Roger E. | 5,8-Dimethoxynaphthalene-1,6-dicarboxylic Acid | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1987 | 1989 | 10.1107/S0108270197011475 | 0.71073 | MoKα | null | 0.065 | null | null | null | 0.059 | null | null | null | null | null | 1.58 | null | null | has coordinates | Gerkin, Roger E.
5,8-Dimethoxynaphthalene-1,6-dicarboxylic Acid
Acta Crystallographica Section C
53(12)
(1997)
1987-1989 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,826 | 18.9237 | 0.0002 | 18.9167 | 0.0002 | 8.7226 | 0.0001 | 90 | null | 90 | null | 90 | null | 3,122.46 | 0.06 | 143 | null | 143 | null | null | null | null | null | 3 | P c c n | -P 2ab 2ac | 56 | [Bis-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)]-methane | - C17 H24 O4 - | - C17 H24 O4 - | - C136 H192 O32 - | 8 | 1 | HA1194 | Bolte, Michael; Scholtyssik, Maria | A Tetragonal-Looking But Twinned Orthorhombic Structure | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1869 | 1871 | 10.1107/S0108270197009438 | 0.71073 | MoKα | 0.034 | 0.033 | null | 0.092 | 0.091 | null | null | null | 1.062 | 1.072 | 1.072 | null | null | null | has coordinates,has Fobs | Bolte, Michael; Scholtyssik, Maria
A Tetragonal-Looking But Twinned Orthorhombic Structure
Acta Crystallographica Section C
53(12)
(1997)
1869-1871 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,827 | 6.025 | 0.001 | 10.519 | 0.001 | 9.584 | 0.001 | 90 | null | 105.91 | 0.01 | 90 | null | 584.14 | 0.13 | 102 | null | 102 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | Bis-(trimethylsilyl)acetylene | - C8 H18 Si2 - | - C8 H18 Si2 - | - C16 H36 Si4 - | 2 | 0.5 | JZ1194 | Joachim Bruckmann; Carl Krüger | Bis(trimethylsilyl)acetylene | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1845 | 1846 | 10.1107/S0108270197005684 | 0.71069 | MoKα | 0.0484 | 0.0454 | null | 0.1277 | 0.1244 | null | null | null | 1.098 | 1.117 | 1.117 | null | null | null | has coordinates | Joachim Bruckmann; Carl Krüger
Bis(trimethylsilyl)acetylene
Acta Crystallographica Section C
53(12)
(1997)
1845-1846 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,828 | 8.7652 | 0.001 | 7.8844 | 0.001 | 9.64 | 0.002 | 90 | null | 91.468 | 0.01 | 90 | null | 665.99 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - B5 Cd La O10 - | - B5 Cd La O10 - | - B20 Cd4 La4 O40 - | 4 | 1 | JZ1197 | Wiesch, Andre; Bluhm, Karsten | The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1730 | 1733 | 10.1107/S0108270197008202 | 0.71069 | MoKα | 0.0382 | 0.0245 | null | 0.061 | 0.0585 | null | null | null | 1.045 | 1.101 | 1.101 | null | null | null | has coordinates | Wiesch, Andre; Bluhm, Karsten
The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu
Acta Crystallographica Section C
53(12)
(1997)
1730-1733 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,006,829 | 8.588 | 0.003 | 7.8819 | 0.0014 | 9.583 | 0.002 | 90 | null | 92.34 | 0.02 | 90 | null | 648.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - B5 Cd O10 Sm - | - B5 Cd O10 Sm - | - B20 Cd4 O40 Sm4 - | 4 | 1 | JZ1197 | Wiesch, Andre; Bluhm, Karsten | The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1730 | 1733 | 10.1107/S0108270197008202 | 0.71069 | MoKα | 0.0466 | 0.0293 | null | 0.0901 | 0.0869 | null | null | null | 1.148 | 1.243 | 1.243 | null | null | null | has coordinates | Wiesch, Andre; Bluhm, Karsten
The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu
Acta Crystallographica Section C
53(12)
(1997)
1730-1733 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,230,131 | 8.2052 | 0.0016 | 9.856 | 0.002 | 10.196 | 0.002 | 64.71 | 0.03 | 83.78 | 0.03 | 82.88 | 0.03 | 738.4 | 0.3 | 113 | 2 | 113 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Bis(4-ethoxyphenyl) sulfoxide | - C16 H18 O3 S - | - C16 H18 O3 S - | - C32 H36 O6 S2 - | 2 | 1 | RZ2577 | Meng, Kang; Wu, Cheng; Cao, Jing; Ma, Ping; Liu, Lihong | Bis(4-ethoxyphenyl) sulfoxide | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1136 | 10.1107/S1600536811013213 | 0.71073 | MoKα | 0.0458 | 0.034 | null | null | 0.0908 | 0.095 | null | null | null | null | null | 1.062 | null | null | has coordinates,has disorder,has Fobs | Meng, Kang; Wu, Cheng; Cao, Jing; Ma, Ping; Liu, Lihong
Bis(4-ethoxyphenyl) sulfoxide
Acta Crystallographica Section E
67(5)
(2011)
o1136 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,830 | 8.5477 | 0.0012 | 7.881 | 0.002 | 9.58 | 0.002 | 90 | null | 92.53 | 0.02 | 90 | null | 644.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - B5 Cd Eu O10 - | - B5 Cd Eu O10 - | - B20 Cd4 Eu4 O40 - | 4 | 1 | JZ1197 | Wiesch, Andre; Bluhm, Karsten | The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1730 | 1733 | 10.1107/S0108270197008202 | 0.71069 | MoKα | 0.0614 | 0.0393 | null | 0.0949 | 0.0893 | null | null | null | 0.989 | 1.063 | 1.063 | null | null | null | has coordinates | Wiesch, Andre; Bluhm, Karsten
The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu
Acta Crystallographica Section C
53(12)
(1997)
1730-1733 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,006,831 | 8.9206 | 0.0019 | 10.484 | 0.002 | 10.8614 | 0.0017 | 93.046 | 0.014 | 93.663 | 0.015 | 99.182 | 0.016 | 998.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(3,5-dimethylpyrazole)(N-salicylideneglycinato)copper(II) | - C19 H23 Cu N5 O3 - | - C19 H23 Cu N5 O3 - | - C38 H46 Cu2 N10 O6 - | 2 | 1 | JZ1209 | Warda, Salam A. | Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1759 | 1761 | 10.1107/S0108270197009104 | 1.54178 | CuKα | 0.0446 | 0.0442 | null | null | null | 0.128 | null | null | null | null | null | 1.083 | null | null | has coordinates | Warda, Salam A.
Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C
53(12)
(1997)
1759-1761 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,832 | 15.564 | 0.003 | 12.441 | 0.002 | 7.8 | 0.002 | 90 | null | 99.49 | 0.03 | 90 | null | 1,489.7 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - I7 Nb3 S - | - I7 Nb3 S - | - I28 Nb12 S4 - | 4 | 1 | JZ1212 | Schmidt, Peter Josef; Thiele, Gerhard | A New Structural Variation of Nb~3~<i>YX</i>~7~ Compounds: Monoclinic Nb~3~SI~7~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1743 | 1745 | 10.1107/S0108270197008196 | 0.71069 | MoKα | 0.0439 | 0.0305 | null | 0.0923 | 0.0769 | null | null | null | 1.082 | 1.086 | 1.086 | null | null | null | has coordinates | Schmidt, Peter Josef; Thiele, Gerhard
A New Structural Variation of Nb~3~<i>YX</i>~7~ Compounds: Monoclinic Nb~3~SI~7~
Acta Crystallographica Section C
53(12)
(1997)
1743-1745 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,006,833 | 9.634 | 0.004 | 8.586 | 0.002 | 5.304 | 0.002 | 90 | null | 109.69 | 0.03 | 90 | null | 413.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | vanadium lithium metasilicate | - Li O6 Si2 V - | - Li O6 Si2 V - | - Li4 O24 Si8 V4 - | 4 | 0.5 | JZ1217 | Satto, Christine; Millet, Patrice; Galy, Jean | Lithium Vanadium Metasilicate, LiVSi~2~O~6~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1727 | 1728 | 10.1107/S0108270197008585 | 0.71069 | MoKα | null | 0.0189 | null | null | 0.0162 | null | null | null | null | 1.0784 | 1.0784 | null | null | null | has coordinates | Satto, Christine; Millet, Patrice; Galy, Jean
Lithium Vanadium Metasilicate, LiVSi~2~O~6~
Acta Crystallographica Section C
53(12)
(1997)
1727-1728 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,006,834 | 13.307 | 0.002 | 24.15 | 0.003 | 14.74 | 0.002 | 90 | null | 90 | null | 90 | null | 4,736.9 | 1.1 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | Hexamethylenetetramine–1,1,1-tris(4-hydroxyphenyl)ethane (1/1). | - C26 H30 N4 O3 - | - C26 H30 N4 O3 - | - C208 H240 N32 O24 - | 8 | 1 | JZ1225 | Coupar, Pamela I.; Ferguson, George; Glidewell, Christopher; Meehan, Paul R. | Pairwise-Interwoven <i>R</i>^6^~6~(48) Hexagonal Nets in the Hydrogen-Bonded Structure of Hexamethylenetetramine–1,1,1-Tris(4-hydroxyphenyl)ethane (1/1) | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1978 | 1980 | 10.1107/S010827019701086X | 0.7107 | MolybdenumKα | 0.1996 | 0.0601 | null | 0.1292 | 0.1025 | null | null | null | 0.819 | 1.227 | 1.227 | null | null | null | has coordinates,has Fobs | Coupar, Pamela I.; Ferguson, George; Glidewell, Christopher; Meehan, Paul R.
Pairwise-Interwoven <i>R</i>^6^~6~(48) Hexagonal Nets in the Hydrogen-Bonded Structure of Hexamethylenetetramine–1,1,1-Tris(4-hydroxyphenyl)ethane (1/1)
Acta Crystallographica Section C
53(12)
(1997)
1978-1980 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,230,130 | 12.186 | 0.002 | 5.6516 | 0.0011 | 22.16 | 0.004 | 90 | null | 104.47 | 0.03 | 90 | null | 1,477.8 | 0.5 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-(<i>N</i>-Phenylmethanesulfonamido)ethyl 1<i>H</i>-pyrrole-2-carboxylate | - C14 H16 N2 O4 S - | - C14 H16 N2 O4 S - | - C56 H64 N8 O16 S4 - | 4 | 1 | RZ2576 | Khan, Salman Tariq; Yu, Peng; Nelofar, Aisha; Ahmed, Zaheer; Chantrapromma, Suchada | 2-(<i>N</i>-Phenylmethanesulfonamido)ethyl 1<i>H</i>-pyrrole-2-carboxylate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1125 | o1126 | 10.1107/S160053681101261X | 0.71073 | MoKα | 0.0787 | 0.0594 | null | null | 0.1379 | 0.1518 | null | null | null | null | null | 1.057 | null | null | has coordinates,has Fobs | Khan, Salman Tariq; Yu, Peng; Nelofar, Aisha; Ahmed, Zaheer; Chantrapromma, Suchada
2-(<i>N</i>-Phenylmethanesulfonamido)ethyl 1<i>H</i>-pyrrole-2-carboxylate
Acta Crystallographica Section E
67(5)
(2011)
o1125-o1126 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,835 | 5.7094 | 0.0004 | 6.8207 | 0.0004 | 9.3291 | 0.0006 | 90 | null | 90 | null | 90 | null | 363.29 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P m n 21 | P 2ac -2 | 31 | Europium nitridosilicate | Dieuropium-pentasiliconoctanitride | - Eu2 N8 Si5 - | - Eu2 N8 Si5 - | - Eu4 N16 Si10 - | 2 | 0.5 | JZ1226 | Huppertz, Hubert; Schnick, Wolfgang | Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1751 | 1753 | 10.1107/S0108270197008767 | 0.71073 | MoKα | 0.0278 | 0.0237 | null | 0.0471 | 0.0458 | null | null | null | 1.122 | 1.133 | 1.133 | null | null | null | has coordinates | Huppertz, Hubert; Schnick, Wolfgang
Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal
Acta Crystallographica Section C
53(12)
(1997)
1751-1753 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,006,836 | 5.9822 | 0.0003 | 5.9822 | 0.0003 | 9.7455 | 0.0004 | 90 | null | 90 | null | 120 | null | 302.03 | 0.02 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 63 m c | P 6c -2c | 186 | Europium ytterbium nitridosilicate | Europium-ytterbium-tetrasiliconheptanitride | - Eu N7 Si4 Yb - | - Eu N7 Si4 Yb - | - Eu2 N14 Si8 Yb2 - | 2 | 0.166667 | JZ1226 | Huppertz, Hubert; Schnick, Wolfgang | Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1751 | 1753 | 10.1107/S0108270197008767 | 0.71073 | MoKα | 0.0261 | 0.0212 | null | 0.0491 | 0.0478 | null | null | null | 1.068 | 1.091 | 1.091 | null | null | null | has coordinates | Huppertz, Hubert; Schnick, Wolfgang
Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal
Acta Crystallographica Section C
53(12)
(1997)
1751-1753 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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