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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,010,565 | 9.1857 | 0.0018 | 9.6334 | 0.0019 | 10.379 | 0.002 | 72.44 | 0.03 | 88.5 | 0.03 | 68.19 | 0.03 | 809.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Trans-dichlorobis(triphenylphosphine-P)platinum(II) | - C36 H30 Cl2 P2 Pt - | - C36 H30 Cl2 P2 Pt - | - C36 H30 Cl2 P2 Pt - | 1 | 0.5 | Johansson, Maria H.; Otto, Stefanus | trans-Dichlorobis(triphenylphosphine-P)platinum(II) | Acta Crystallographica, Section C | 2,000 | 56 | e12 | e15 | 10.1107/S010827019901608X | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Johansson, Maria H.; Otto, Stefanus
trans-Dichlorobis(triphenylphosphine-P)platinum(II)
Acta Crystallographica, Section C
56
(2000)
e12-e15 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010565.cif $
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2,010,566 | 9.1857 | 0.0018 | 9.6334 | 0.0019 | 10.379 | 0.002 | 72.44 | 0.03 | 88.5 | 0.03 | 68.19 | 0.03 | 809.1 | 0.3 | 293 | 2 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C36 H30 Cl2 P2 Pt - | - C36 H30 Cl2 P2 Pt - | - C36 H30 Cl2 P2 Pt - | 1 | 0.5 | Johansson, Maria H.; Otto, Stefanus | trans-Dichlorobis(triphenylphosphine-P)platinum(II) | Acta Crystallographica, Section C | 2,000 | 56 | e12 | e15 | 10.1107/S010827019901608X | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Johansson, Maria H.; Otto, Stefanus
trans-Dichlorobis(triphenylphosphine-P)platinum(II)
Acta Crystallographica, Section C
56
(2000)
e12-e15 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010566.cif $
#-------------------------------------------------------------------... | ||||||||||||||
2,010,567 | 11.903 | 0.001 | 10.895 | 0.002 | 10.343 | 0.001 | 90 | null | 109.76 | 0.01 | 90 | null | 1,262.3 | 0.3 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 6-Cyano-2,3-dihydro-2-(tertiobutyloxy)methyl-5H-oxazolo[3,2-a]pyrimidin-5-one, | - C12 H15 N3 O3 - | - C12 H15 N3 O3 - | - C48 H60 N12 O12 - | 4 | 1 | QA0195 | Chaimbault, Corinne; Leger, Jean Michel; Bosc, Jean-Jacques; Jarry, Christian | 2-<i>tert</i>-Butyloxymethyl-6-cyano-2,3-dihydro-5<i>H</i>-oxazolo[3,2-<i>a</i>]pyrimidin-5-one | Acta Crystallographica Section C | 2,000 | 56 | 1 | e29 | e30 | 10.1107/S0108270199016285 | 1.54178 | CuKα | 0.104 | 0.057 | null | 0.16 | null | 0.1312 | null | null | 1.033 | null | null | 1.12 | null | null | has coordinates,has Fobs | Chaimbault, Corinne; Leger, Jean Michel; Bosc, Jean-Jacques; Jarry, Christian
2-<i>tert</i>-Butyloxymethyl-6-cyano-2,3-dihydro-5<i>H</i>-oxazolo[3,2-<i>a</i>]pyrimidin-5-one
Acta Crystallographica Section C
56(1)
(2000)
e29-e30 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010567.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,568 | 7.355 | 0.002 | 8.291 | 0.003 | 14.374 | 0.005 | 95.78 | 0.04 | 98.68 | 0.04 | 98.51 | 0.04 | 850.1 | 0.5 | 180 | 2 | 180 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Morpholinium-dimorpholidodithiophosphate | - C12 H26 N3 O3 P S2 - | - C12 H26 N3 O3 P S2 - | - C24 H52 N6 O6 P2 S4 - | 2 | 1 | QA0196 | Ziemer, Burkhard; Rabis, Annegrit | Morpholinium dimorpholinidodithiophosphate | Acta Crystallographica Section C | 2,000 | 56 | 1 | e33 | e33 | 10.1107/S010827019901639X | 0.71073 | MoKα | 0.096 | 0.057 | null | 0.153 | null | 0.137 | null | null | 0.903 | null | null | 1.04 | null | null | has coordinates | Ziemer, Burkhard; Rabis, Annegrit
Morpholinium dimorpholinidodithiophosphate
Acta Crystallographica Section C
56(1)
(2000)
e33-e33 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010568.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,569 | 9.552 | 0.003 | 11.853 | 0.007 | 15.615 | 0.004 | 90 | null | 96.47 | 0.02 | 90 | null | 1,756.7 | 1.3 | 294 | null | 294 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C14 H30 N O3 P - | - C14 H30 N O3 P - | - C56 H120 N4 O12 P4 - | 4 | 1 | QA0197 | Amedjkouh, Mohamed; Grimaldi, Jacques; Reboul, Jean-Pierre; Siri, Didier | Diethyl [(2<i>RS</i>,5<i>RS</i>)-5-isopropyl-2,3,3-trimethylpyrrolidin-2-yl]phosphonate | Acta Crystallographica Section C | 2,000 | 56 | 1 | e31 | e32 | 10.1107/S0108270199016303 | 0.71073 | MoKα | 0.107 | 0.049 | null | null | null | 0.069 | null | null | null | null | null | 1.167 | null | null | has coordinates,has Fobs | Amedjkouh, Mohamed; Grimaldi, Jacques; Reboul, Jean-Pierre; Siri, Didier
Diethyl [(2<i>RS</i>,5<i>RS</i>)-5-isopropyl-2,3,3-trimethylpyrrolidin-2-yl]phosphonate
Acta Crystallographica Section C
56(1)
(2000)
e31-e32 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010569.cif $
#-------------------------------------------------------------------... | |||||||||||
2,010,570 | 9.855 | 0.002 | 17.306 | 0.003 | 10.607 | 0.002 | 90 | null | 114.29 | 0.01 | 90 | null | 1,648.9 | 0.6 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/m 1 | -P 2yb | 11 | none | 2,11,13,21,29,31-hexamethyl-5,16,24-triaza-8,19,27-triazoniaheptacyclo- [10.10.6.1^1,3^.1^5,8^.1^10,14^.1^16,19^.1^24,27^]tritriaconta- 1,3(29),6,8(30),10,12,14(31),17,19(32),21,25,27(33)-dodecene tribromide dihydrate | - C33 H43 Br3 N6 O2 - | - C33 H43 Br3 N6 O2 - | - C66 H86 Br6 N12 O4 - | 2 | 0.5 | QA0198 | Yuan, Yi; Zhou, Haibing; Jiang, Zhonlin; Yan, Jiaming; Xie, Rugang | A new tribridged imidazolium cyclophane | Acta Crystallographica Section C | 2,000 | 56 | 1 | e34 | e35 | 10.1107/S0108270199016406 | 0.71073 | MoKα | 0.06 | 0.034 | null | null | null | 0.073 | null | null | null | null | null | 0.884 | null | null | has coordinates,has Fobs | Yuan, Yi; Zhou, Haibing; Jiang, Zhonlin; Yan, Jiaming; Xie, Rugang
A new tribridged imidazolium cyclophane
Acta Crystallographica Section C
56(1)
(2000)
e34-e35 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010570.cif $
#-------------------------------------------------------------------... | |||||||||
2,010,571 | 7.67 | 0.003 | 19.766 | 0.005 | 13.759 | 0.003 | 90 | null | 90.63 | 0.03 | 90 | null | 2,085.8 | 1.1 | 100 | null | 100 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 2-nitro-N,N-bis(2-nitrophenylthio)benzenesulfonamide | - C18 H12 N4 O8 S3 - | - C18 H12 N4 O8 S3 - | - C72 H48 N16 O32 S12 - | 4 | 1 | QB0136 | Oguz, Umut; McLaughlin, Mark L.; Fronczek, Frank R. | 2-Nitro-<i>N,N</i>-bis(2-nitrophenylthio)benzenesulfonamide | Acta Crystallographica Section C | 2,000 | 56 | 1 | e27 | e28 | 10.1107/S0108270199016121 | 0.71073 | Mo-Kα | 0.062 | 0.038 | null | 0.081 | null | 0.04 | null | null | 1.32 | null | null | 1.483 | null | null | has coordinates,has Fobs | Oguz, Umut; McLaughlin, Mark L.; Fronczek, Frank R.
2-Nitro-<i>N,N</i>-bis(2-nitrophenylthio)benzenesulfonamide
Acta Crystallographica Section C
56(1)
(2000)
e27-e28 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010571.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,572 | 9.717 | 0.002 | 9.495 | 0.001 | 17.542 | 0.003 | 90 | null | 97.13 | 0.01 | 90 | null | 1,606 | 0.5 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (1R,2R)-N,N-bis(8-quinoline sulfonylamino)-1,2-diphenylethylenediamine acetone (1\1) | - C35 H32 N4 O5 S2 - | - C35 H26.006 N4 O5 S2 - | - C70 H52.012 N8 O10 S4 - | 2 | 1 | QB0144 | Dong, Chune; Zhang, Junlong; Zhang, Liangfu; Yu, Zuolong | (1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-1,2-bis(8-quinolinesulfonylamino)ethylenediamine‒acetone (1/1) | Acta Crystallographica Section C | 2,000 | 56 | 1 | e21 | e21 | 10.1107/S0108270199015991 | 0.71073 | MoKα | 0.0415 | 0.0319 | null | null | null | 0.0742 | null | null | null | null | null | 0.944 | null | null | has coordinates,has Fobs | Dong, Chune; Zhang, Junlong; Zhang, Liangfu; Yu, Zuolong
(1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-1,2-bis(8-quinolinesulfonylamino)ethylenediamine‒acetone (1/1)
Acta Crystallographica Section C
56(1)
(2000)
e21-e21 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010572.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,573 | 6.9804 | 0.0008 | 19.256 | 0.002 | 26.131 | 0.003 | 90 | null | 90 | null | 90 | null | 3,512.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | F d d d :2 | -F 2uv 2vw | 70 | - C7 H11 Br N2 - | - C7 H11 Br N2 - | - C112 H176 Br16 N32 - | 16 | 0.5 | QB0146 | Mayr-Stein, Ralf; Bolte, Michael | 4-Dimethylaminopyridinium bromide | Acta Crystallographica Section C | 2,000 | 56 | 1 | e19 | e20 | 10.1107/S0108270199016133 | 0.71073 | MoKα | 0.064 | 0.036 | null | null | null | 0.1 | null | null | null | null | null | 1.018 | null | null | has coordinates,has Fobs | Mayr-Stein, Ralf; Bolte, Michael
4-Dimethylaminopyridinium bromide
Acta Crystallographica Section C
56(1)
(2000)
e19-e20 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010573.cif $
#-------------------------------------------------------------------... | |||||||||||
2,010,574 | 10.8971 | 0.0001 | 17.7367 | 0.0001 | 16.7252 | 0.0002 | 90 | null | 94.793 | 0.001 | 90 | null | 3,221.32 | 0.05 | 203 | 2 | 203 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [bis(diphenylphosphino)methane](pentane-2,4-dithionato-S,S')nickel(II) hexafluorophosphate | - C30 H29 F6 Ni P3 S2 - | - C30 H29 F6 Ni P3 S2 - | - C120 H116 F24 Ni4 P12 S8 - | 4 | 1 | QB0153 | Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J. | [Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II) | Acta Crystallographica Section C | 2,000 | 56 | 1 | e16 | e18 | 10.1107/S0108270199016078 | 0.71073 | MoKα | 0.037 | 0.03 | null | null | null | 0.083 | null | null | null | null | null | 1.014 | null | null | has coordinates,has Fobs | Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.
[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)
Acta Crystallographica Section C
56(1)
(2000)
e16-e18 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010574.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,575 | 11.0458 | 0.0002 | 13.485 | 0.0002 | 14.5828 | 0.0001 | 67.386 | 0.001 | 76.105 | 0.001 | 72.088 | 0.001 | 1,889.5 | 0.05 | 203 | 2 | 203 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Pentane-2,4-dithione[bis(diphenylphosphino)ethane]nickel(II) hexafluorophosphate. | - C31 H31 F6 Ni P3 S2 - | - C31 H31 F6 Ni P3 S2 - | - C62 H62 F12 Ni2 P6 S4 - | 2 | 1 | QB0153 | Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J. | [Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II) | Acta Crystallographica Section C | 2,000 | 56 | 1 | e16 | e18 | 10.1107/S0108270199016078 | 0.71073 | MoKα | 0.052 | 0.039 | null | null | null | 0.104 | null | null | null | null | null | 1.038 | null | null | has coordinates,has Fobs | Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.
[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)
Acta Crystallographica Section C
56(1)
(2000)
e16-e18 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010575.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,576 | 10.0345 | 0.0002 | 15.8632 | 0.0002 | 10.8058 | 0.0002 | 90 | null | 94.14 | null | 90 | null | 1,715.57 | 0.05 | 203 | 2 | 203 | 2 | null | null | null | null | 6 | P 1 21/m 1 | -P 2yb | 11 | Pentane-2,4-dithione[bis(diphenylphosphino)propane]nickel(II) hexafluorophosphate. | - C32 H33 F6 Ni P3 S2 - | - C32 H33 F6 Ni P3 S2 - | - C64 H66 F12 Ni2 P6 S4 - | 2 | 0.5 | QB0153 | Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J. | [Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II) | Acta Crystallographica Section C | 2,000 | 56 | 1 | e16 | e18 | 10.1107/S0108270199016078 | 0.71073 | MoKα | 0.0505 | 0.0346 | null | null | null | 0.0952 | null | null | null | null | null | 0.998 | null | null | has coordinates,has Fobs | Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.
[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)
Acta Crystallographica Section C
56(1)
(2000)
e16-e18 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010576.cif $
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2,010,577 | 8.6967 | 0.0017 | 4.2205 | 0.0008 | 10.574 | 0.002 | 90 | null | 90 | null | 90 | null | 388.11 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | Bismuth Selenide Iodide | Bismuth Selenide Iodide | - Bi I Se - | - Bi I Se - | - Bi4 I4 Se4 - | 4 | 0.5 | QB0155 | Braun, Thomas P.; DiSalvo, Francis J. | Bismuth selenide iodide | Acta Crystallographica Section C | 2,000 | 56 | 1 | e1 | e2 | 10.1107/S0108270199016017 | 0.71073 | MoKα | 0.049 | 0.047 | null | null | null | 0.123 | null | null | null | null | null | 1.198 | null | null | has coordinates,has Fobs | Braun, Thomas P.; DiSalvo, Francis J.
Bismuth selenide iodide
Acta Crystallographica Section C
56(1)
(2000)
e1-e2 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010577.cif $
#-------------------------------------------------------------------... | |||||||||
2,010,578 | 5.2729 | 0.0001 | 11.6565 | 0.0003 | 7.8383 | 0.0002 | 90 | null | 94.011 | 0.001 | 90 | null | 480.59 | 0.02 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | taurine | 2-amino-ethanesulfonic acid | - C2 H7 N O3 S - | - C2 H7 N O3 S - | - C8 H28 N4 O12 S4 - | 4 | 1 | QB0156 | Görbitz, Carl Henrik; Prydz, Kristian; Ugland, Sigurd | Taurine | Acta Crystallographica Section C | 2,000 | 56 | 1 | e23 | e24 | 10.1107/S0108270199016029 | 0.71073 | MoKα | 0.028 | 0.026 | null | null | null | 0.075 | null | null | null | null | null | 1.126 | null | null | has coordinates | Görbitz, Carl Henrik; Prydz, Kristian; Ugland, Sigurd
Taurine
Acta Crystallographica Section C
56(1)
(2000)
e23-e24 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010578.cif $
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2,010,579 | 16.935 | 0.003 | 9.0806 | 0.0007 | 14.987 | 0.003 | 90 | null | 90 | null | 90 | null | 2,304.7 | 0.6 | 190 | 2 | 190 | 2 | null | null | null | null | 5 | P b c n | -P 2n 2ab | 60 | - C20 H16 N7 Nd O9 - | - C20 H16 N7 Nd O9 - | - C80 H64 N28 Nd4 O36 - | 4 | 0.5 | QB0157 | Bower, John F.; Cotton, Simon A.; Fawcett, John; Russell, David R. | Bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')tris(nitrato-<i>O</i>,<i>O</i>')neodymium | Acta Crystallographica Section C | 2,000 | 56 | 1 | e8 | e9 | 10.1107/S0108270199016157 | 0.71073 | MoKα | 0.068 | 0.047 | null | null | null | 0.129 | null | null | null | null | null | 2.23 | null | null | has coordinates,has Fobs | Bower, John F.; Cotton, Simon A.; Fawcett, John; Russell, David R.
Bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')tris(nitrato-<i>O</i>,<i>O</i>')neodymium
Acta Crystallographica Section C
56(1)
(2000)
e8-e9 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010579.cif $
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2,010,580 | 7.3152 | 0.0003 | 7.5917 | 0.0004 | 12.3024 | 0.0006 | 86.661 | 0.003 | 73.172 | 0.003 | 81.79 | 0.03 | 647.15 | 0.07 | 150 | 0.1 | 150 | 0.1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Hexaaquomagnesium(II) di[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxo- pyrimidin-2-yl)glycinate] dihydrate | - C14 H32 Mg N10 O16 - | - C14 H32 Mg N10 O16 - | - C14 H32 Mg N10 O16 - | 1 | 0.5 | QB0158 | Arranz Mascarós, P.; Cobo Domingo, Justo; Godino Salido, M.; Gutiérrez Valero, M. D.; López Garzón, R.; Low, John Nicolson | Hexaaquamagnesium(II) bis[<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate] dihydrate | Acta Crystallographica Section C | 2,000 | 56 | 1 | e4 | e5 | 10.1107/S0108270199016145 | 0.71073 | MoKα | 0.0498 | 0.0384 | null | null | null | 0.1099 | null | null | null | null | null | 1.061 | null | null | has coordinates,has Fobs | Arranz Mascarós, P.; Cobo Domingo, Justo; Godino Salido, M.; Gutiérrez Valero, M. D.; López Garzón, R.; Low, John Nicolson
Hexaaquamagnesium(II) bis[<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate] dihydrate
Acta Crystallographica Section C
56(1)
(2000)
e4-e5 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010580.cif $
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2,010,581 | 18.359 | 0.004 | 6.898 | 0.001 | 18.256 | 0.004 | 90 | null | 110.62 | 0.02 | 90 | null | 2,163.8 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | [Bis-(salicylaldeneamino-3- propanolato)manganese(III)] perchlorate | - C20 H24 Cl Mn N2 O8 - | - C20 H24 Cl Mn N2 O8 - | - C80 H96 Cl4 Mn4 N8 O32 - | 4 | 0.5 | QB0160 | Zhang, Cungen; Wu, Dan; Sun, Jie; Kong, Xiangfu | Bis[3-(salicylideneamino-<i>O</i>,<i>N</i>)propanolato]manganese(III) perchlorate | Acta Crystallographica Section C | 2,000 | 56 | 1 | e10 | e11 | 10.1107/S0108270199016273 | 0.7107 | MoKα | null | 0.039 | null | null | null | 0.048 | null | null | null | null | null | 1.52 | null | null | has coordinates,has Fobs | Zhang, Cungen; Wu, Dan; Sun, Jie; Kong, Xiangfu
Bis[3-(salicylideneamino-<i>O</i>,<i>N</i>)propanolato]manganese(III) perchlorate
Acta Crystallographica Section C
56(1)
(2000)
e10-e11 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,582 | 6.292 | 0.001 | 7.735 | 0.001 | 6.745 | 0.003 | 90 | null | 90.8 | 0.01 | 90 | null | 328.24 | 0.16 | 157 | null | 157 | 1 | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | chlorotrimethylsilane | - C3 H9 Cl Si - | - C3 H9 Cl Si - | - C6 H18 Cl2 Si2 - | 2 | 0.5 | SK1303 | Buschmann, Jürgen; Lentz, Dieter; Luger, Peter; Röttger, Matthias | Chlorotrimethylsilane | Acta Crystallographica Section C | 2,000 | 56 | 1 | 121 | 122 | 10.1107/S0108270199012470 | 0.7107 | MoKα | 0.066 | 0.037 | null | null | null | 0.096 | null | null | null | null | null | 1.122 | null | null | has coordinates,has Fobs | Buschmann, Jürgen; Lentz, Dieter; Luger, Peter; Röttger, Matthias
Chlorotrimethylsilane
Acta Crystallographica Section C
56(1)
(2000)
121-122 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,583 | 6.2171 | 0.0006 | 12.5197 | 0.0009 | 12.2224 | 0.0009 | 90 | null | 97.225 | 0.005 | 90 | null | 943.79 | 0.13 | 291 | 1 | 291 | 1 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C20 H28 O4 - | - C20 H28 O4 - | - C40 H56 O8 - | 2 | 1 | SK1308 | Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang | (1<i>R</i>,2<i>R</i>)-2-(4-Methylenecyclohex-2-enyl)propyl (1<i>R</i>,4<i>S</i>)-camphanate | Acta Crystallographica Section C | 2,000 | 56 | 1 | 76 | 77 | 10.1107/S0108270199012561 | 0.71069 | MoKα | 0.0477 | 0.0336 | null | null | null | 0.086 | null | null | null | null | null | 0.997 | null | null | has coordinates,has Fobs | Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang
(1<i>R</i>,2<i>R</i>)-2-(4-Methylenecyclohex-2-enyl)propyl (1<i>R</i>,4<i>S</i>)-camphanate
Acta Crystallographica Section C
56(1)
(2000)
76-77 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010583.cif $
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2,010,584 | 9.7666 | 0.0019 | 5.7576 | 0.0012 | 19.754 | 0.003 | 90 | null | 94.905 | 0.014 | 90 | null | 1,106.7 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Folpet | 2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione | - C9 H4 Cl3 N O2 S - | - C9 H4 Cl3 N O2 S - | - C36 H16 Cl12 N4 O8 S4 - | 4 | 1 | SX1096 | Carle, A. Björn; Krause Bauer, Jeanette A.; Wilson, R. Marshall | 2-Trichloromethylthio-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (Folpet) | Acta Crystallographica Section C | 2,000 | 56 | 1 | 97 | 98 | 10.1107/S0108270199013074 | 0.71073 | MoKα | 0.15 | 0.061 | null | null | null | 0.157 | null | null | null | null | null | 1.1 | null | null | has coordinates | Carle, A. Björn; Krause Bauer, Jeanette A.; Wilson, R. Marshall
2-Trichloromethylthio-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (Folpet)
Acta Crystallographica Section C
56(1)
(2000)
97-98 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010584.cif $
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2,010,585 | 8.428 | 0.001 | 16.863 | 0.001 | 11.869 | 0.001 | 90 | null | 98.86 | 0.01 | 90 | null | 1,666.7 | 0.3 | 295 | 2 | 295 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Potassium Bis(ethylenediamine)copper(II) Ferricyanide | - C10 H16 Cu Fe K N10 - | - C10 H16 Cu Fe K N10 - | - C40 H64 Cu4 Fe4 K4 N40 - | 4 | 0.5 | TA1254 | Kang, Bei-Sheng; Tong, Ye-Xiang; Yu, Kai-Bei; Su, Cheng-Yong; Zhang, Hua-Xin | Potassium bis(ethylenediamine)copper(II) ferricyanide | Acta Crystallographica Section C | 2,000 | 56 | 1 | 40 | 41 | 10.1107/S0108270199010173 | 0.71073 | MoKα | 0.034 | 0.027 | null | null | null | 0.068 | null | null | null | null | null | 0.966 | null | null | has coordinates,has disorder | Kang, Bei-Sheng; Tong, Ye-Xiang; Yu, Kai-Bei; Su, Cheng-Yong; Zhang, Hua-Xin
Potassium bis(ethylenediamine)copper(II) ferricyanide
Acta Crystallographica Section C
56(1)
(2000)
40-41 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010585.cif $
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2,010,586 | 6.843 | 0.004 | 12.553 | 0.007 | 8.076 | 0.005 | 90 | 0.008 | 111.37 | 0.008 | 90 | null | 646 | 0.7 | 158 | 2 | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C4 H14 Br2 Co N2 O4 - | - C4 H14 Br2 Co N2 O4 - | - C8 H28 Br4 Co2 N4 O8 - | 2 | 0.5 | TA1257 | Depree, Craig V.; Ainscough, Eric W.; Brodie, Andrew M.; Gainsford, Graeme J.; Lensink, Cornelis | H···Br hydrogen bonding in <i>trans</i>-bis(acetonitrile-<i>N</i>)tetraaquacobalt(II) dibromide | Acta Crystallographica Section C | 2,000 | 56 | 1 | 17 | 18 | 10.1107/S0108270199012159 | 0.71073 | MoKα | 0.0615 | 0.0384 | null | null | null | 0.0869 | null | null | null | null | null | 0.904 | null | null | has coordinates | Depree, Craig V.; Ainscough, Eric W.; Brodie, Andrew M.; Gainsford, Graeme J.; Lensink, Cornelis
H···Br hydrogen bonding in <i>trans</i>-bis(acetonitrile-<i>N</i>)tetraaquacobalt(II) dibromide
Acta Crystallographica Section C
56(1)
(2000)
17-18 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010586.cif $
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2,010,587 | 9.6119 | 0.0001 | 13.4954 | 0.0001 | 18.514 | 0.003 | 90 | null | 90 | null | 90 | null | 2,401.6 | 0.4 | 203 | 2 | 203 | 2 | null | null | null | null | 8 | P n m a | -P 2ac 2n | 62 | Bis(N,N'-dimethylimidazol-2-ylidene)mercury(II) Chlorotriiodomercurate(II) Dimethylsulphoxide solvate. | - C12 H22 Cl Hg2 I3 N4 O S - | - C12 H22 Cl Hg2 I3 N4 O S - | - C48 H88 Cl4 Hg8 I12 N16 O4 S4 - | 4 | 0.5 | TA1265 | Clark, Alex M.; Oliver, Allen G.; Rickard, Clifton E. F.; Wright, L. James; Roper, Warren R. | Bis(<i>N,N</i>'-dimethylimidazol-2-ylidene)mercury chlorotriiodomercury dimethyl sulfoxide solvate | Acta Crystallographica Section C | 2,000 | 56 | 1 | 26 | 27 | 10.1107/S0108270199012640 | 0.71073 | MoKα | 0.0537 | 0.0383 | null | null | null | 0.1099 | null | null | null | null | null | 1.05 | null | null | has coordinates,has Fobs | Clark, Alex M.; Oliver, Allen G.; Rickard, Clifton E. F.; Wright, L. James; Roper, Warren R.
Bis(<i>N,N</i>'-dimethylimidazol-2-ylidene)mercury chlorotriiodomercury dimethyl sulfoxide solvate
Acta Crystallographica Section C
56(1)
(2000)
26-27 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010587.cif $
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2,010,588 | 8.0507 | 0.0008 | 12.0791 | 0.0012 | 10.2946 | 0.0008 | 90 | null | 97.954 | 0.008 | 90 | null | 991.47 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (-)-sparteine copper(II) diacetate | {1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14-methano- 2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine-N,N'}bis(acetato- O,O')copper(II) | - C19 H32 Cu N2 O4 - | - C19 H32 Cu N2 O4 - | - C38 H64 Cu2 N4 O8 - | 2 | 1 | TA1266 | Lee, Yong-Min; Chung, Geewon; Kwon, Mi-A; Choi, Sung-Nak | ({-})-Sparteine copper(II) diacetate | Acta Crystallographica Section C | 2,000 | 56 | 1 | 67 | 68 | 10.1107/S0108270199012160 | 0.71069 | MoKα | 0.054 | 0.042 | null | null | null | 0.101 | null | null | null | null | null | 1.315 | null | null | has coordinates | Lee, Yong-Min; Chung, Geewon; Kwon, Mi-A; Choi, Sung-Nak
({-})-Sparteine copper(II) diacetate
Acta Crystallographica Section C
56(1)
(2000)
67-68 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010588.cif $
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2,010,589 | 8.22 | 0.002 | 7.295 | 0.001 | 17.47 | 0.004 | 90 | null | 100.97 | 0.02 | 90 | null | 1,028.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 1-(2,4,6-trimethylphenyl)tetrazole | 1-(2,4,6-trimethylphenyl)tetrazole | - C10 H12 N4 - | - C10 H12 N4 - | - C40 H48 N16 - | 4 | 1 | AV1031 | Lyakhov, Alexander S.; Ivashkevich, Dmitri O.; Gaponik, Pavel N.; Grigoriev, Yuri V.; Ivashkevich, Ludmila S. | 1-(2,4,6-Trimethylphenyl)-1<i>H</i>-1,2,3,4-tetrazole | Acta Crystallographica Section C | 2,000 | 56 | 2 | 256 | 257 | 10.1107/S0108270199014742 | 0.71069 | MoKα | 0.0907 | 0.0528 | null | null | null | 0.1901 | null | null | null | null | null | 1.059 | null | null | has coordinates,has Fobs | Lyakhov, Alexander S.; Ivashkevich, Dmitri O.; Gaponik, Pavel N.; Grigoriev, Yuri V.; Ivashkevich, Ludmila S.
1-(2,4,6-Trimethylphenyl)-1<i>H</i>-1,2,3,4-tetrazole
Acta Crystallographica Section C
56(2)
(2000)
256-257 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010589.cif $
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2,010,590 | 8.818 | 0.001 | 8.377 | 0.001 | 8.174 | 0.001 | 90 | null | 108.51 | 0.01 | 90 | null | 572.56 | 0.12 | 153 | 2 | 153 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 1,2,4,5-tetrakis(cyanomethyl)benzene | - C14 H10 N4 - | - C14 H10 N4 - | - C28 H20 N8 - | 2 | 0.5 | BK1493 | Jene, Paul G.; Ibers, James A. | Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 2 | 246 | 249 | 10.1107/S0108270199014663 | 0.71073 | MoKα | 0.079 | 0.044 | null | null | null | 0.098 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | Jene, Paul G.; Ibers, James A.
Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid
Acta Crystallographica Section C
56(2)
(2000)
246-249 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,591 | 9.2233 | 0.0007 | 11.747 | 0.001 | 13.936 | 0.001 | 90 | null | 90.451 | 0.001 | 90 | null | 1,509.9 | 0.2 | 153 | 2 | 153 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | methyl 3,4,5-triacetoxybenzenoate | - C14 H14 O8 - | - C14 H14 O8 - | - C56 H56 O32 - | 4 | 1 | BK1493 | Jene, Paul G.; Ibers, James A. | Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 2 | 246 | 249 | 10.1107/S0108270199014663 | 0.71073 | MoKα | 0.05 | 0.043 | null | null | null | 0.116 | null | null | null | null | null | 1.84 | null | null | has coordinates,has Fobs | Jene, Paul G.; Ibers, James A.
Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid
Acta Crystallographica Section C
56(2)
(2000)
246-249 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010591.cif $
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2,010,592 | 12.125 | 0.001 | 13.72 | 0.001 | 7.7247 | 0.0008 | 90 | null | 96.722 | 0.002 | 90 | null | 1,276.21 | 0.19 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H11 N O4 - | - C16 H11 N O4 - | - C64 H44 N4 O16 - | 4 | 1 | BK1493 | Jene, Paul G.; Ibers, James A. | Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 2 | 246 | 249 | 10.1107/S0108270199014663 | 0.71073 | MoKα | 0.0539 | 0.036 | null | null | null | 0.089 | null | null | null | null | null | 1.102 | null | null | has coordinates | Jene, Paul G.; Ibers, James A.
Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid
Acta Crystallographica Section C
56(2)
(2000)
246-249 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010592.cif $
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2,010,593 | 13.344 | 0.005 | 14.393 | 0.004 | 11.683 | 0.002 | 93.51 | 0.03 | 110 | 0.02 | 64.19 | 0.02 | 1,888 | 1 | 170 | 2 | 170 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Tetrabutylbis(N-phthaloylglycinato)distannoxane dimer | octabutyl-1k^2^C,2k^2^C,3k^2^C,4k^2^C-bis-m~3~oxo- 1:2:3k^3^O;1:3:4k^3^O-tetrakis(m-phthalimidoacetato)- 1:2k^2^O;2:3k^2^O:O';3:4k^2^O;1:4k^2^O:O'-tetratin(IV) | - C72 H96 N4 O18 Sn4 - | - C72 H96 N4 O18 Sn4 - | - C72 H96 N4 O18 Sn4 - | 1 | 0.5 | BK1497 | Parvez, Masood; Anwar, Saeed; Badshah, Amin; Ahmad, Bashir; Majeed, Abdul; Ashfaq, Muhammad | Tetrabutylbis(<i>N</i>-phthaloylglycinato)distannoxane dimer | Acta Crystallographica Section C | 2,000 | 56 | 2 | 159 | 160 | 10.1107/S0108270199013591 | 0.7107 | MoKα | 0.093 | 0.032 | null | null | null | 0.082 | null | null | null | null | null | 1.02 | null | null | has coordinates,has disorder,has Fobs | Parvez, Masood; Anwar, Saeed; Badshah, Amin; Ahmad, Bashir; Majeed, Abdul; Ashfaq, Muhammad
Tetrabutylbis(<i>N</i>-phthaloylglycinato)distannoxane dimer
Acta Crystallographica Section C
56(2)
(2000)
159-160 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010593.cif $
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2,010,594 | 7.804 | 0.013 | 12.931 | 0.006 | 7.49 | 0.04 | 91.59 | 0.16 | 112.9 | 0.2 | 88.12 | 0.08 | 696 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4-Chloro-N-(4-cyano-2-nitrophenyl)-3-nitrobenzamide | - C14 H7 Cl N4 O5 - | - C14 H7 Cl N4 O5 - | - C28 H14 Cl2 N8 O10 - | 2 | 1 | BM1358 | Cronin, Leroy; Adams, Dave A.; Nightingale, David J.; Clark, James H. | 4-Chloro-<i>N</i>-(4-cyano-2-nitrophenyl)-3-nitrobenzamide | Acta Crystallographica Section C | 2,000 | 56 | 2 | 244 | 245 | 10.1107/S0108270199014651 | 0.71069 | MoKα | 0.088 | 0.046 | null | 0.145 | 0.115 | null | null | null | 1.053 | 1.092 | 1.092 | null | null | null | has coordinates | Cronin, Leroy; Adams, Dave A.; Nightingale, David J.; Clark, James H.
4-Chloro-<i>N</i>-(4-cyano-2-nitrophenyl)-3-nitrobenzamide
Acta Crystallographica Section C
56(2)
(2000)
244-245 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/05/2010594.cif $
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2,010,595 | 7.943 | 0.002 | 14.448 | 0.003 | 15.336 | 0.003 | 99.01 | 0.03 | 96.19 | 0.03 | 91.54 | 0.03 | 1,726.4 | 0.7 | 150 | null | 150 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | (1,2-benzisothiazol-3(2H)-one-1,1-dioxide)aquabis(1,10-phenanthroline) manganese(II)1,2-benzisothiazol-3(2H)-one-1,1-dioxide | - C38 H26 Mn N6 O7 S2 - | - C38 H26 Mn N6 O7 S2 - | - C76 H52 Mn2 N12 O14 S4 - | 2 | 1 | BM1359 | Deng, Robert M. K.; Bilton, Clair; Dillon, Keith B.; Howard, Judith A. K. | Two saccharinate complexes: [Mn(phen)~2~(sac)(H~2~O)]^+^·sac^{–^} and [Co(bipy)~2~(sac)(H~2~O)]^+^·sac^{–^} | Acta Crystallographica Section C | 2,000 | 56 | 2 | 142 | 145 | 10.1107/S0108270199012664 | 0.71073 | MoKα | 0.069 | 0.04 | null | 0.107 | null | 0.095 | null | null | null | null | null | 1.008 | null | null | has coordinates | Deng, Robert M. K.; Bilton, Clair; Dillon, Keith B.; Howard, Judith A. K.
Two saccharinate complexes: [Mn(phen)~2~(sac)(H~2~O)]^+^·sac^{–^} and [Co(bipy)~2~(sac)(H~2~O)]^+^·sac^{–^}
Acta Crystallographica Section C
56(2)
(2000)
142-145 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,596 | 7.6982 | 0.0001 | 31.3359 | 0.0005 | 13.2179 | 0.0002 | 90 | null | 93.272 | 0.001 | 90 | null | 3,183.36 | 0.08 | 150 | null | 150 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | (1,2-benzisothiazol-3(2H)-one-1,1-dioxide)aquabis(2,2'-bipyridine) cobalt(II)1,2-benzisothiazol-3(2H)-one-1,1-dioxide | - C34 H26 Co N6 O7 S2 - | - C34 H26 Co N6 O7 S2 - | - C136 H104 Co4 N24 O28 S8 - | 4 | 1 | BM1359 | Deng, Robert M. K.; Bilton, Clair; Dillon, Keith B.; Howard, Judith A. K. | Two saccharinate complexes: [Mn(phen)~2~(sac)(H~2~O)]^+^·sac^{–^} and [Co(bipy)~2~(sac)(H~2~O)]^+^·sac^{–^} | Acta Crystallographica Section C | 2,000 | 56 | 2 | 142 | 145 | 10.1107/S0108270199012664 | 0.71073 | MoKα | 0.043 | 0.033 | null | 0.073 | null | 0.079 | null | null | null | null | null | 1.147 | null | null | has coordinates | Deng, Robert M. K.; Bilton, Clair; Dillon, Keith B.; Howard, Judith A. K.
Two saccharinate complexes: [Mn(phen)~2~(sac)(H~2~O)]^+^·sac^{–^} and [Co(bipy)~2~(sac)(H~2~O)]^+^·sac^{–^}
Acta Crystallographica Section C
56(2)
(2000)
142-145 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,597 | 7.162 | 0.002 | 8.2217 | 0.0015 | 13.807 | 0.004 | 98.1 | 0.02 | 99.4 | 0.02 | 102.51 | 0.02 | 769.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C19 H14 N2 O4 - | - C19 H14 N2 O4 - | - C38 H28 N4 O8 - | 2 | 1 | BM1366 | Kovalevsky, A. Yu.; Ponomarev, I. I. | A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds | Acta Crystallographica Section C | 2,000 | 56 | 2 | 260 | 262 | 10.1107/S0108270199014213 | 0.71073 | MoKα | 0.096 | 0.037 | null | 0.125 | null | 0.098 | null | null | 0.905 | null | null | 1.189 | null | null | has coordinates | Kovalevsky, A. Yu.; Ponomarev, I. I.
A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds
Acta Crystallographica Section C
56(2)
(2000)
260-262 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,598 | 25.643 | 0.017 | 5.206 | 0.002 | 16.211 | 0.01 | 90 | null | 126.35 | 0.04 | 90 | null | 1,743 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C19 H8 F6 N2 O4 - | - C19 H8 F6 N2 O4 - | - C76 H32 F24 N8 O16 - | 4 | 0.5 | BM1366 | Kovalevsky, A. Yu.; Ponomarev, I. I. | A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds | Acta Crystallographica Section C | 2,000 | 56 | 2 | 260 | 262 | 10.1107/S0108270199014213 | 0.71073 | MoKα | 0.167 | 0.081 | null | 0.471 | null | 0.209 | null | null | 1.052 | null | null | 1.157 | null | null | has coordinates | Kovalevsky, A. Yu.; Ponomarev, I. I.
A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds
Acta Crystallographica Section C
56(2)
(2000)
260-262 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,599 | 10.509 | 0.002 | 5.0144 | 0.0007 | 15.397 | 0.003 | 90 | null | 95.35 | 0.02 | 90 | null | 807.8 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C18 H6 F6 N2 O4 - | - C18 H6 F6 N2 O4 - | - C36 H12 F12 N4 O8 - | 2 | 0.5 | BM1366 | Kovalevsky, A. Yu.; Ponomarev, I. I. | A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds | Acta Crystallographica Section C | 2,000 | 56 | 2 | 260 | 262 | 10.1107/S0108270199014213 | 0.71073 | MoKα | 0.077 | 0.049 | null | 0.174 | null | 0.146 | null | null | 1.075 | null | null | 1.248 | null | null | has coordinates | Kovalevsky, A. Yu.; Ponomarev, I. I.
A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds
Acta Crystallographica Section C
56(2)
(2000)
260-262 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,600 | 7.067 | 0.004 | 9.783 | 0.005 | 11.44 | 0.006 | 90 | null | 103.43 | 0.03 | 90 | null | 769.3 | 0.7 | 220 | 2 | 220 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C5 H11 N3 S - | - C5 H11 N3 S - | - C20 H44 N12 S4 - | 4 | 1 | BM1372 | Parsons, Simon; Smith, Andrew G.; Tasker, Peter A.; White, David J. | Acetone-4-methylthiosemicarbazone at 220K | Acta Crystallographica Section C | 2,000 | 56 | 2 | 237 | 238 | 10.1107/S0108270199014559 | 1.54178 | CuKα | 0.0495 | 0.0431 | null | null | null | 0.1221 | null | null | null | null | null | 1.055 | null | null | has coordinates,has Fobs | Parsons, Simon; Smith, Andrew G.; Tasker, Peter A.; White, David J.
Acetone-4-methylthiosemicarbazone at 220K
Acta Crystallographica Section C
56(2)
(2000)
237-238 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,601 | 8.242 | 0.002 | 21.782 | 0.006 | 12.557 | 0.003 | 90 | null | 119.292 | 0.014 | 90 | null | 1,966.1 | 0.9 | 150 | null | 150 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Diaquatris(pentane-2,4-dionato-O,O')holmium(III) monohydrate | - C15 H27 Ho O9 - | - C15 H27 Ho O9 - | - C60 H108 Ho4 O36 - | 4 | 1 | BM1374 | Kooijman, Huub; Nijsen, Frank; Spek, Anthony L.; Schip, Fred van het | Diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) monohydrate and diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) 4-hydroxypentan-2-one solvate dihydrate | Acta Crystallographica Section C | 2,000 | 56 | 2 | 156 | 158 | 10.1107/S0108270199013566 | 0.71073 | MoKα | 0.056 | 0.042 | null | null | null | 0.099 | null | null | null | null | null | 1.151 | null | null | has coordinates,has Fobs | Kooijman, Huub; Nijsen, Frank; Spek, Anthony L.; Schip, Fred van het
Diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) monohydrate and diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) 4-hydroxypentan-2-one solvate dihydrate
Acta Crystallographica Section C
56(2)
(2000)
156-158 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,602 | 11.4903 | 0.0011 | 11.0242 | 0.0006 | 20.5442 | 0.0015 | 90 | null | 93.44 | 0.007 | 90 | null | 2,597.7 | 0.3 | 293 | null | 150 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | diaquatris(pentane-2,4-dionato-O,O')holmium(III) 4-hydroxypentan-2-one solvate dihydrate | - C20 H37 Ho O12 - | - C20 H37 Ho O12 - | - C80 H148 Ho4 O48 - | 4 | 1 | BM1374 | Kooijman, Huub; Nijsen, Frank; Spek, Anthony L.; Schip, Fred van het | Diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) monohydrate and diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) 4-hydroxypentan-2-one solvate dihydrate | Acta Crystallographica Section C | 2,000 | 56 | 2 | 156 | 158 | 10.1107/S0108270199013566 | 0.71073 | MoKα | 0.043 | 0.032 | null | null | null | 0.069 | null | null | null | null | null | 1.173 | null | null | has coordinates,has Fobs | Kooijman, Huub; Nijsen, Frank; Spek, Anthony L.; Schip, Fred van het
Diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) monohydrate and diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) 4-hydroxypentan-2-one solvate dihydrate
Acta Crystallographica Section C
56(2)
(2000)
156-158 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010602.cif $
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2,010,603 | 15.5849 | 0.0011 | 11.6404 | 0.0006 | 8.115 | 0.0007 | 90 | null | 113.738 | 0.003 | 90 | null | 1,347.63 | 0.17 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 2,6-Bis-(3-{trifluoromethyl}pyrazol-1-yl)pyridine | - C13 H7 F6 N5 - | - C13 H7 F6 N5 - | - C52 H28 F24 N20 - | 4 | 0.5 | BM1377 | Halcrow, Malcolm A.; Kilner, Colin A.; Thornton-Pett, Mark | 2,6-Bis-(3-trifluoromethylpyrazol-1-yl)pyridine | Acta Crystallographica Section C | 2,000 | 56 | 2 | 213 | 214 | 10.1107/S0108270199013852 | 0.71073 | MoKα | 0.0693 | 0.0473 | null | null | null | 0.1391 | null | null | null | null | null | 1.061 | null | null | has coordinates,has Fobs | Halcrow, Malcolm A.; Kilner, Colin A.; Thornton-Pett, Mark
2,6-Bis-(3-trifluoromethylpyrazol-1-yl)pyridine
Acta Crystallographica Section C
56(2)
(2000)
213-214 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,604 | 24.928 | 0.003 | 7.8409 | 0.0006 | 11.5716 | 0.0012 | 90 | null | 92.256 | 0.008 | 90 | null | 2,260 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 2 | C 1 2/c 1 | -C 2yc | 15 | chiral bis([2.2]paracyclophan-4-yl)methane | - C33 H32 - | - C33 H32 - | - C132 H128 - | 4 | 0.5 | BM1382 | Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars | Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide | Acta Crystallographica Section C | 2,000 | 56 | 2 | 239 | 241 | 10.1107/S0108270199014560 | 0.71073 | MoKα | 0.0631 | 0.0452 | null | 0.1306 | 0.1207 | null | null | null | 1.024 | 1.128 | 1.128 | null | null | null | has coordinates,has Fobs | Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars
Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide
Acta Crystallographica Section C
56(2)
(2000)
239-241 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,605 | 25.969 | 0.003 | 7.72 | 0.001 | 23.329 | 0.003 | 90 | null | 94.044 | 0.006 | 90 | null | 4,665.4 | 1 | 173 | 2 | 173 | 2 | null | null | null | null | 2 | C 1 2/c 1 | -C 2yc | 15 | meso-bis([2.2]paracyclophan-4-yl)methane | - C33 H32 - | - C33 H32 - | - C264 H256 - | 8 | 1 | BM1382 | Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars | Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide | Acta Crystallographica Section C | 2,000 | 56 | 2 | 239 | 241 | 10.1107/S0108270199014560 | 0.71073 | MoKα | 0.0541 | 0.0416 | null | 0.1164 | 0.1097 | null | null | null | 1.037 | 1.116 | 1.116 | null | null | null | has coordinates,has Fobs | Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars
Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide
Acta Crystallographica Section C
56(2)
(2000)
239-241 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,606 | 8.1084 | 0.0012 | 12.334 | 0.002 | 12.826 | 0.002 | 94.525 | 0.012 | 105.516 | 0.012 | 105.779 | 0.008 | 1,173.4 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | meso-bis([2.2]paracyclophan-4-yl)sulfide | - C32 H30 S - | - C32 H30 S - | - C64 H60 S2 - | 2 | 1 | BM1382 | Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars | Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide | Acta Crystallographica Section C | 2,000 | 56 | 2 | 239 | 241 | 10.1107/S0108270199014560 | 0.71073 | MoKα | 0.0785 | 0.0401 | null | 0.0897 | 0.0813 | null | null | null | 0.817 | 0.994 | 0.994 | null | null | null | has coordinates,has Fobs | Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars
Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide
Acta Crystallographica Section C
56(2)
(2000)
239-241 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,607 | 15.0766 | 0.0009 | 15.0766 | 0.0009 | 15.0766 | 0.0009 | 90 | null | 90 | null | 90 | null | 3,427 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P a -3 | -P 2ac 2ab 3 | 205 | poly[Bis((2-aminomethyl)methylamine)(μ-hexathiocyanato) triccadmium(II) 1.0 water solvate | - C16 H32 Cd3 N12 O S6 - | - C16.0002 H32.001 Cd3 N12 O1.0002 S6 - | - C64.0008 H128.004 Cd12 N48 O4.0008 S24 - | 4 | 0.166667 | BR1256 | Mostafa, Golam; Mondal, Arunendu; Laskar, Inamur R.; Welch, A. J.; Chaudhuri, N. Ray | A three-dimensional network of cadmium | Acta Crystallographica Section C | 2,000 | 56 | 2 | 146 | 148 | 10.1107/S010827019901269X | 0.71073 | MoKα | 0.054 | 0.044 | null | null | null | 0.129 | null | null | null | null | null | 1.037 | null | null | has coordinates,has Fobs | Mostafa, Golam; Mondal, Arunendu; Laskar, Inamur R.; Welch, A. J.; Chaudhuri, N. Ray
A three-dimensional network of cadmium
Acta Crystallographica Section C
56(2)
(2000)
146-148 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,608 | 6.773 | 0.002 | 6.776 | 0.003 | 10.122 | 0.003 | 71.72 | 0.03 | 79.48 | 0.02 | 66.64 | 0.02 | 404 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | tetrarubidiumtetraoxatin(IV) | - O4 Rb4 Sn - | - O4 Rb4 Sn - | - O8 Rb8 Sn2 - | 2 | 1 | BR1266 | Hoch, Constantin; Röhr, Caroline | Rubidium stannate(IV), Rb~4~SnO~4~ | Acta Crystallographica Section C | 2,000 | 56 | 2 | 136 | 137 | 10.1107/S0108270199013700 | 0.7107 | MoKα | 0.087 | 0.056 | null | null | null | 0.15 | null | null | null | null | null | 1.101 | null | null | has coordinates,has Fobs | Hoch, Constantin; Röhr, Caroline
Rubidium stannate(IV), Rb~4~SnO~4~
Acta Crystallographica Section C
56(2)
(2000)
136-137 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,609 | 11.86 | 0.01 | 12.6 | 0.01 | 13.02 | 0.02 | 74.3 | 0.1 | 79.6 | 0.1 | 66 | 0.1 | 1,706 | 4 | 298 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C4 H68 N2 Na10 O74 W12 - | - C4 N2 Na10 O74 W12 - | - C4 N2 Na10 O74 W12 - | 1 | 0.5 | BR1268 | Haruo Naruke; Norio Fukuda; Toshihiro Yamase | Na~10~(glycine)~2~[H~2~W~12~O~42~]·28H~2~O | Acta Crystallographica Section C | 2,000 | 56 | 2 | 177 | 178 | 10.1107/S0108270199014419 | 0.7107 | MoKα | null | 0.0514 | null | null | null | 0.0629 | null | null | null | null | null | 1.98 | null | null | has coordinates | Haruo Naruke; Norio Fukuda; Toshihiro Yamase
Na~10~(glycine)~2~[H~2~W~12~O~42~]·28H~2~O
Acta Crystallographica Section C
56(2)
(2000)
177-178 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010609.cif $
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2,010,610 | 12.864 | 0.003 | 14.422 | 0.003 | 9.083 | 0.0018 | 90 | null | 134.83 | 0.03 | 90 | null | 1,195.1 | 0.8 | 295 | 2 | 295 | 2 | null | null | null | null | 2 | C 1 c 1 | C -2yc | 9 | Lanthanum diarsenide | - As2 La - | - As2 La - | - As32 La16 - | 16 | 4 | BR1274 | Wang, Meitian; Mar, Arthur | High-temperature LaAs~2~ | Acta Crystallographica Section C | 2,000 | 56 | 2 | 138 | 139 | 10.1107/S0108270199015553 | 0.71073 | MoKα | 0.0604 | 0.0477 | null | null | null | 0.1036 | null | null | null | null | null | 1.01 | null | null | has coordinates,has Fobs | Wang, Meitian; Mar, Arthur
High-temperature LaAs~2~
Acta Crystallographica Section C
56(2)
(2000)
138-139 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,611 | 19.657 | 0.012 | 17.066 | 0.003 | 17.67 | 0.005 | 90 | null | 90 | null | 90 | null | 5,928 | 4 | 150 | 0.1 | 150 | 0.1 | null | null | null | null | 5 | P b c n | -P 2n 2ab | 60 | Bis(tetra-n-butylammonium) Bis[μ-2-hydroxy-2-phenyl- ethanoato(2-)]-bis[oxomonoperoxovanadate(V)] | - C56 H92 N2 O15 V2 - | - C56 H92 N2 O15 V2 - | - C224 H368 N8 O60 V8 - | 4 | 0.5 | CF1306 | Kutá Smatanová, Ivana; Marek, Jaromír; Švančárek, Peter; Schwendt, Peter | Bis(tetra-<i>n</i>-butylammonium) bis[(mandelato)oxo(peroxo)vanadate(V)] mandelic acid solvate | Acta Crystallographica Section C | 2,000 | 56 | 2 | 154 | 155 | 10.1107/S0108270199013475 | 0.71073 | MoKα | 0.098 | 0.052 | null | null | null | 0.168 | null | null | null | null | null | 1.034 | null | null | has coordinates,has disorder,has Fobs | Kutá Smatanová, Ivana; Marek, Jaromír; Švančárek, Peter; Schwendt, Peter
Bis(tetra-<i>n</i>-butylammonium) bis[(mandelato)oxo(peroxo)vanadate(V)] mandelic acid solvate
Acta Crystallographica Section C
56(2)
(2000)
154-155 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,612 | 9.1198 | 0.0013 | 9.96 | 0.002 | 19.483 | 0.003 | 90 | null | 92.176 | 0.012 | 90 | null | 1,768.4 | 0.5 | 203 | 2 | 203 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (iodobromo)triphenylarsenic | - C18 H15 As Br I - | - C18 H15 As Br I - | - C72 H60 As4 Br4 I4 - | 4 | 1 | CF1314 | Cross, Wendy I.; Dahalan, Mohjat Z.; Godfrey, Stephen M.; Jaiboon, Nongnuch; McAuliffe, Charles A.; Pritchard, Robin G.; Thompson, Graeme M. | (Triphenylarsine)iodinemonobromine: a charge-transfer adduct in which arsenic selectively bonds to iodine | Acta Crystallographica Section C | 2,000 | 56 | 2 | 140 | 141 | 10.1107/S0108270199012111 | 0.71073 | MoKα | 0.053 | 0.036 | null | null | null | 0.089 | null | null | null | null | null | 1.023 | null | null | has coordinates,has Fobs | Cross, Wendy I.; Dahalan, Mohjat Z.; Godfrey, Stephen M.; Jaiboon, Nongnuch; McAuliffe, Charles A.; Pritchard, Robin G.; Thompson, Graeme M.
(Triphenylarsine)iodinemonobromine: a charge-transfer adduct in which arsenic selectively bonds to iodine
Acta Crystallographica Section C
56(2)
(2000)
140-141 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010612.cif $
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2,010,613 | 6.1333 | 0.0008 | 24.365 | 0.003 | 8.0681 | 0.0006 | 90 | null | 108.496 | 0.008 | 90 | null | 1,143.4 | 0.2 | 293 | 1 | 293 | 1 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | Cyclomicrobuxine | 3β-(Dimethylamino)-16α-hydroxy-14-methyl-4-methylene-9,19-cyclo-5α- pregnan-20-one monohydrate | - C25 H41 N O3 - | - C25 H41 N O3 - | - C50 H82 N2 O6 - | 2 | 1 | DA1099 | Parvez, Masood; Atta-ur-Rahman; Choudhary, M. Iqbal; Parveen, Shehnaz; Ayatollahi, Syed Abdul Majid | Cyclomicrobuxine monohydrate | Acta Crystallographica Section C | 2,000 | 56 | 2 | 233 | 234 | 10.1107/S0108270199014420 | 0.71069 | MoKα | 0.1373 | 0.0585 | null | null | null | 0.2554 | null | null | null | null | null | 1.071 | null | null | has coordinates,has Fobs | Parvez, Masood; Atta-ur-Rahman; Choudhary, M. Iqbal; Parveen, Shehnaz; Ayatollahi, Syed Abdul Majid
Cyclomicrobuxine monohydrate
Acta Crystallographica Section C
56(2)
(2000)
233-234 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010613.cif $
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2,010,614 | 6.5156 | 0.0007 | 8.2006 | 0.0011 | 20.6704 | 0.0014 | 90 | null | 90 | null | 90 | null | 1,104.5 | 0.2 | 123 | 2 | 123 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2,2-dimethyl-1-picrylhydrazine | 2,2-dimethyl-1-(2,4,6-trinitro)phenylhydrazine | - C8 H9 N5 O6 - | - C8 H9 N5 O6 - | - C32 H36 N20 O24 - | 4 | 1 | DA1101 | Quail, J. Wilson; Weil, John A.; Singh, Malvinder P. | 2,2-Dimethyl-1-(2,4,6-trinitrophenyl)hydrazine | Acta Crystallographica Section C | 2,000 | 56 | 2 | 235 | 236 | 10.1107/S0108270199014547 | 0.71073 | MoKα | 0.0478 | 0.0384 | null | null | null | 0.0999 | null | null | null | null | null | 1.046 | null | null | has coordinates,has Fobs | Quail, J. Wilson; Weil, John A.; Singh, Malvinder P.
2,2-Dimethyl-1-(2,4,6-trinitrophenyl)hydrazine
Acta Crystallographica Section C
56(2)
(2000)
235-236 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010614.cif $
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2,010,615 | 7.448 | 0.003 | 8.514 | 0.003 | 9.786 | 0.003 | 107.57 | 0.03 | 100.99 | 0.03 | 94.57 | 0.03 | 574.5 | 0.4 | 125 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 3-methylthio-4-propargylthioquinoline | - C13 H11 N S2 - | - C13 H11 N S2 - | - C26 H22 N2 S4 - | 2 | 1 | DE1124 | Boryczka, Stanisław; Schreurs, Antoine M. M.; Kroon, Jan; Steiner, Thomas | C[tripleC—H···N hydrogen bonding in 3-methylthio-4-propargylthioquinoline | Acta Crystallographica Section C | 2,000 | 56 | 2 | 263 | 264 | 10.1107/S0108270199016297 | 0.71073 | MoKα | 0.0624 | 0.053 | null | null | null | 0.1271 | null | null | null | null | null | 1.098 | null | null | has coordinates,has Fobs | Boryczka, Stanisław; Schreurs, Antoine M. M.; Kroon, Jan; Steiner, Thomas
C[tripleC—H···N hydrogen bonding in 3-methylthio-4-propargylthioquinoline
Acta Crystallographica Section C
56(2)
(2000)
263-264 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,616 | 8.905 | 0.003 | 5.301 | 0.001 | 12.035 | 0.003 | 90 | null | 95.4 | 0.03 | 90 | null | 565.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C10 H6 N2 O4 S2 - | - C10 H6 N2 O4 S2 - | - C20 H12 N4 O8 S4 - | 2 | 0.5 | FG1563 | Brisse, François; Atfani, Mohamed; Bergeron, Jean-Yves; Bélanger-Gariépy, Francine; Armand, Michel | <i>N</i>,<i>N</i>'-Dimethyl-1,4-dithiine-1,2:4,5-tetracarboximide and <i>N</i>,<i>N</i>'-dimethyl-1,4-diselenine-1,2:4,5-tetracarboximide | Acta Crystallographica Section C | 2,000 | 56 | 2 | 190 | 192 | 10.1107/S0108270199010100 | 1.54056 | CuKα | 0.033 | 0.03 | null | 0.09 | null | 0.088 | null | null | 1.093 | null | null | 1.14 | null | null | has coordinates | Brisse, François; Atfani, Mohamed; Bergeron, Jean-Yves; Bélanger-Gariépy, Francine; Armand, Michel
<i>N</i>,<i>N</i>'-Dimethyl-1,4-dithiine-1,2:4,5-tetracarboximide and <i>N</i>,<i>N</i>'-dimethyl-1,4-diselenine-1,2:4,5-tetracarboximide
Acta Crystallographica Section C
56(2)
(2000)
190-192 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,617 | 9.173 | 0.002 | 5.302 | 0.001 | 12.239 | 0.004 | 90 | null | 93.69 | 0.02 | 90 | null | 594 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C10 H6 N2 O4 Se2 - | - C10 H6 N2 O4 Se2 - | - C20 H12 N4 O8 Se4 - | 2 | 0.5 | FG1563 | Brisse, François; Atfani, Mohamed; Bergeron, Jean-Yves; Bélanger-Gariépy, Francine; Armand, Michel | <i>N</i>,<i>N</i>'-Dimethyl-1,4-dithiine-1,2:4,5-tetracarboximide and <i>N</i>,<i>N</i>'-dimethyl-1,4-diselenine-1,2:4,5-tetracarboximide | Acta Crystallographica Section C | 2,000 | 56 | 2 | 190 | 192 | 10.1107/S0108270199010100 | 1.54056 | CuKα | 0.033 | 0.026 | null | 0.075 | null | 0.073 | null | null | 1.077 | null | null | 1.181 | null | null | has coordinates | Brisse, François; Atfani, Mohamed; Bergeron, Jean-Yves; Bélanger-Gariépy, Francine; Armand, Michel
<i>N</i>,<i>N</i>'-Dimethyl-1,4-dithiine-1,2:4,5-tetracarboximide and <i>N</i>,<i>N</i>'-dimethyl-1,4-diselenine-1,2:4,5-tetracarboximide
Acta Crystallographica Section C
56(2)
(2000)
190-192 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010617.cif $
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2,010,618 | 10.273 | 0.002 | 15.238 | 0.002 | 11.976 | 0.002 | 90 | null | 95.63 | 0.01 | 90 | null | 1,865.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [2-acetylpyridine-(4-phenylthiosemicarbazonoato)- N,N,S)]-chloro-transdimethyl-tin(IV), | - C16 H19 Cl N4 S Sn - | - C16 H19 Cl N4 S Sn - | - C64 H76 Cl4 N16 S4 Sn4 - | 4 | 1 | FR1234 | Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimário F. de; Abras, Anuar | (2-Acetylpyridine-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)halogeno-<i>trans</i>-dimethyltin(IV) (halogeno = chloro and bromo) | Acta Crystallographica Section C | 2,000 | 56 | 2 | 187 | 189 | 10.1107/S0108270199015450 | 0.71073 | MoKα | 0.052 | 0.033 | null | null | null | 0.102 | null | null | null | null | null | 1.072 | null | null | has coordinates | Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimário F. de; Abras, Anuar
(2-Acetylpyridine-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)halogeno-<i>trans</i>-dimethyltin(IV) (halogeno = chloro and bromo)
Acta Crystallographica Section C
56(2)
(2000)
187-189 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010618.cif $
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2,010,619 | 10.1858 | 0.0009 | 15.3819 | 0.0018 | 12.0726 | 0.0007 | 90 | null | 97.56 | 0.006 | 90 | null | 1,875.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [2-acetylpyridine-(4-phenylthiosemicarbazonoato)- N,N,S)]-bromo-transdimethyl-tin(IV), | - C16 H19 Br N4 S Sn - | - C16 H19 Br N4 S Sn - | - C64 H76 Br4 N16 S4 Sn4 - | 4 | 1 | FR1234 | Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimário F. de; Abras, Anuar | (2-Acetylpyridine-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)halogeno-<i>trans</i>-dimethyltin(IV) (halogeno = chloro and bromo) | Acta Crystallographica Section C | 2,000 | 56 | 2 | 187 | 189 | 10.1107/S0108270199015450 | 0.71073 | MoKα | 0.12 | 0.04 | null | null | null | 0.106 | null | null | null | null | null | 1.054 | null | null | has coordinates | Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimário F. de; Abras, Anuar
(2-Acetylpyridine-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)halogeno-<i>trans</i>-dimethyltin(IV) (halogeno = chloro and bromo)
Acta Crystallographica Section C
56(2)
(2000)
187-189 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010619.cif $
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2,300,355 | 10.4303 | 0.0003 | 6.08084 | 0.00019 | 4.74531 | 0.00018 | 90 | null | 90 | null | 90 | null | 300.971 | 0.017 | 618 | null | 618 | null | 25,000 | null | 25,000 | null | 5 | P n m a | -P 2ac 2n | 62 | - Fe0.25 Li Mn0.75 O4 P - | - Fe0.25 Li Mn0.75 O4 P - | - Fe Li4 Mn3 O16 P4 - | 4 | 0.5 | KO5132 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo | Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles | Journal of Applied Crystallography | 2,011 | 44 | 2 | 287 | 294 | 10.1107/S0021889811006522 | powder diffraction | 0.94449 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo
Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles
Journal of Applied Crystallography
44(2)
(... | 176,342 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $
#$Revision: 176342 $
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2,010,620 | 8.481 | 0.001 | 14.206 | 0.001 | 18.273 | 0.001 | 90 | null | 90.538 | 0.004 | 90 | null | 2,201.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | methyl N-[4-methoxyphenyl-(3,4,5-trimethoxyphenyl)-methyl]pyroglutamate | - C23 H27 N O7 - | - C23 H27 N O7 - | - C92 H108 N4 O28 - | 4 | 1 | GS1054 | Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan | Structural analysis of pyrrolidinones | Acta Crystallographica Section C | 2,000 | 56 | 2 | 193 | 196 | 10.1107/S0108270199013037 | 1.54178 | CuKα | 0.0456 | 0.0424 | null | null | null | 0.1221 | null | null | null | null | null | 1.058 | null | null | has coordinates,has Fobs | Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan
Structural analysis of pyrrolidinones
Acta Crystallographica Section C
56(2)
(2000)
193-196 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,621 | 9.19 | 0.001 | 11.333 | 0.001 | 14.756 | 0.001 | 89.292 | 0.007 | 73.923 | 0.005 | 66.722 | 0.007 | 1,348.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | methyl N-[naphtyl-(3,4,5-trimethoxyphenyl)-methyl]pyroglutamate | - C28 H30 N O8 - | - C28 H30 N O8 - | - C56 H60 N2 O16 - | 2 | 1 | GS1054 | Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan | Structural analysis of pyrrolidinones | Acta Crystallographica Section C | 2,000 | 56 | 2 | 193 | 196 | 10.1107/S0108270199013037 | 1.54178 | CuKα | 0.0669 | 0.0652 | null | null | null | 0.2098 | null | null | null | null | null | 1.002 | null | null | has coordinates,has Fobs | Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan
Structural analysis of pyrrolidinones
Acta Crystallographica Section C
56(2)
(2000)
193-196 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,622 | 9.909 | 0.001 | 8.519 | 0.001 | 23.793 | 0.001 | 90 | null | 98.104 | 0.004 | 90 | null | 1,988.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 5-(3,4,5-trimethoxyphenyl)-1,2,3,5-tetrahydro-11a-naphto[1,8-f,g] indolizine-3-one | - C24 H23 N O4 - | - C24 H23 N O4 - | - C96 H92 N4 O16 - | 4 | 1 | GS1054 | Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan | Structural analysis of pyrrolidinones | Acta Crystallographica Section C | 2,000 | 56 | 2 | 193 | 196 | 10.1107/S0108270199013037 | 1.54178 | CuKα | 0.0437 | 0.0423 | null | null | null | 0.1207 | null | null | null | null | null | 1.076 | null | null | has coordinates,has Fobs | Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan
Structural analysis of pyrrolidinones
Acta Crystallographica Section C
56(2)
(2000)
193-196 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,623 | 10.868 | 0.001 | 12.937 | 0.001 | 15.049 | 0.001 | 90 | null | 96.009 | 0.004 | 90 | null | 2,104.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 5-(3,4,5-trimethoxyphenyl)-1,2,3,5,12,12a-hexahydronaphto[1,2-f] indolizine-3,12-dione | - C25 H23 N O5 - | - C25 H23 N O5 - | - C100 H92 N4 O20 - | 4 | 1 | GS1054 | Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan | Structural analysis of pyrrolidinones | Acta Crystallographica Section C | 2,000 | 56 | 2 | 193 | 196 | 10.1107/S0108270199013037 | 1.54178 | CuKα | 0.0491 | 0.0399 | null | null | null | 0.1182 | null | null | null | null | null | 1.051 | null | null | has coordinates,has Fobs | Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan
Structural analysis of pyrrolidinones
Acta Crystallographica Section C
56(2)
(2000)
193-196 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,624 | 9.5567 | 0.0019 | 20.491 | 0.004 | 27.169 | 0.005 | 90 | null | 90 | null | 90 | null | 5,320.4 | 1.8 | 123 | 2 | 123 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Leurosine methiodide-methanol-water (1/3/2) | - C50 H75 I N4 O14 - | - C50 H75 I0.996 N4 O14 - | - C200 H300 I3.984 N16 O56 - | 4 | 1 | GS1056 | Hardouin, Christophe; Doris, Eric; Rousseau, Bernard; Mioskowski, Charles; Nierlich, Martine | Leurosine methiodide‒methanol‒water (1/3/2) | Acta Crystallographica Section C | 2,000 | 56 | 2 | 225 | 226 | 10.1107/S0108270199014055 | 0.71073 | MoKα | 0.106 | 0.073 | null | null | null | 0.211 | null | null | null | null | null | 0.965 | null | null | has coordinates,has disorder,has Fobs | Hardouin, Christophe; Doris, Eric; Rousseau, Bernard; Mioskowski, Charles; Nierlich, Martine
Leurosine methiodide‒methanol‒water (1/3/2)
Acta Crystallographica Section C
56(2)
(2000)
225-226 | 194,542 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-03-27 12:39:56 +0300 (Mon, 27 Mar 2017) $
#$Revision: 194542 $
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2,010,625 | 9.709 | 0.002 | 13.748 | 0.002 | 7.128 | 0.001 | 90 | null | 90 | null | 90 | null | 951.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | Mercury(II) polyphosphate | - Hg O6 P2 - | - Hg O6 P2 - | - Hg8 O48 P16 - | 8 | 1 | GS1057 | Weil, Matthias; Glaum, Robert | Mercury(II) polyphosphate, Hg(PO~3~)~2~ | Acta Crystallographica Section C | 2,000 | 56 | 2 | 133 | 135 | 10.1107/S0108270199014067 | 0.71073 | MoKα | 0.039 | 0.034 | null | null | null | 0.093 | null | null | null | null | null | 1.108 | null | null | has coordinates | Weil, Matthias; Glaum, Robert
Mercury(II) polyphosphate, Hg(PO~3~)~2~
Acta Crystallographica Section C
56(2)
(2000)
133-135 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,626 | 6.0272 | 0.0002 | 18.6624 | 0.0008 | 7.3642 | 0.0003 | 90 | null | 98.148 | 0.001 | 90 | null | 819.98 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (1R,2S)-(2-N-methyl-N-4-toluenesulfonyl)amino-1-phenyl-1-propanol | - C17 H21 N O3 S - | - C17 H21 N O3 S - | - C34 H42 N2 O6 S2 - | 2 | 1 | HA1248 | Chinnakali, Kandasamy; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T. | (1<i>R</i>,2<i>S</i>)-2-[<i>N</i>-Methyl-<i>N</i>-(4-toluenesulfonyl)amino]-1-phenylpropan-1-ol | Acta Crystallographica Section C | 2,000 | 56 | 2 | 227 | 228 | 10.1107/S0108270198017429 | 0.71073 | MoKα | 0.048 | 0.041 | null | null | null | 0.104 | null | null | null | null | null | 1.06 | null | null | has coordinates | Chinnakali, Kandasamy; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.
(1<i>R</i>,2<i>S</i>)-2-[<i>N</i>-Methyl-<i>N</i>-(4-toluenesulfonyl)amino]-1-phenylpropan-1-ol
Acta Crystallographica Section C
56(2)
(2000)
227-228 | 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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2,300,354 | 10.4072 | 0.0003 | 6.06188 | 0.00014 | 4.73357 | 0.00013 | 90 | null | 90 | null | 90 | null | 298.628 | 0.014 | 618 | null | 618 | null | 25,000 | null | 25,000 | null | 5 | P n m a | -P 2ac 2n | 62 | - Fe0.5 Li Mn0.5 O4 P - | - Fe0.5 Li Mn0.5 O4 P - | - Fe2 Li4 Mn2 O16 P4 - | 4 | 0.5 | KO5132 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo | Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles | Journal of Applied Crystallography | 2,011 | 44 | 2 | 287 | 294 | 10.1107/S0021889811006522 | powder diffraction | 0.94449 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo
Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles
Journal of Applied Crystallography
44(2)
(... | 176,342 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $
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2,010,627 | 7.854 | 0.001 | 9.384 | 0.001 | 13.23 | 0.002 | 101.563 | 0.002 | 103.699 | 0.002 | 90.184 | 0.002 | 926.8 | 0.2 | 300 | null | 293 | null | null | null | null | null | 3 | P 1 | P 1 | 1 | - C21 H20 O8 - | - C21 H20 O8 - | - C42 H40 O16 - | 2 | 2 | JA1004 | Du Boulay, Douglas; Shaari, Khozirah; Skelton, Brian W.; Waterman, Peter G.; White, Allan H. | 2β-Hydroxy-4'-demethyldesoxypodophyllotoxin | Acta Crystallographica Section C | 2,000 | 56 | 2 | 199 | 200 | 10.1107/S010827019901358X | 0.71073 | MoKα | 0.09 | 0.04 | null | 0.044 | null | 0.044 | null | null | 1.07 | null | null | 1.07 | null | null | has coordinates | Du Boulay, Douglas; Shaari, Khozirah; Skelton, Brian W.; Waterman, Peter G.; White, Allan H.
2β-Hydroxy-4'-demethyldesoxypodophyllotoxin
Acta Crystallographica Section C
56(2)
(2000)
199-200 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,628 | 7.5821 | 0.0016 | 7.613 | 0.002 | 22.27 | 0.003 | 99.469 | 0.016 | 96.999 | 0.012 | 94.79 | 0.02 | 1,251.5 | 0.5 | 293 | null | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 4-cyano-N-(4-methoxybenzylidene)phenylamine N-oxide | - C15 H12 N2 O2 - | - C15 H12 N2 O2 - | - C60 H48 N8 O8 - | 4 | 2 | JA1009 | Kang, Jun-Gill; Hong, Jung-Pyo; Suh, Il-Hwan | <i>N</i>-(4-Cyanophenyl)-α-(4-methoxyphenyl)nitrone | Acta Crystallographica Section C | 2,000 | 56 | 2 | 231 | 232 | 10.1107/S0108270199014596 | 0.71069 | MoKα | 0.103 | 0.056 | null | null | null | 0.177 | null | null | null | null | null | 1.009 | null | null | has coordinates,has Fobs | Kang, Jun-Gill; Hong, Jung-Pyo; Suh, Il-Hwan
<i>N</i>-(4-Cyanophenyl)-α-(4-methoxyphenyl)nitrone
Acta Crystallographica Section C
56(2)
(2000)
231-232 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,629 | 15.151 | 0.003 | 12.739 | 0.003 | 10.5509 | 0.0013 | 90 | null | 97.888 | 0.013 | 90 | null | 2,017.1 | 0.7 | 291 | null | 291 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C14 H16 N4 O8 S4 - | - C14 H16 N4 O8 S4 - | - C56 H64 N16 O32 S16 - | 4 | 0.5 | JA1010 | Cho, Nam Sook; Hong, Soon Il; Kim, Jin-Gyu; Suh, Il-Hwan | 4,17,25,26-Tetraaza-6,9,12,15-tetraoxa-2,19,21,24-tetrathiatricyclo[18.4.1^1,4^.1^17,20^]hexacosa-1(25),20(26)-diene-3,5,16,18-tetraone | Acta Crystallographica Section C | 2,000 | 56 | 2 | 229 | 230 | 10.1107/S0108270199014353 | 0.71069 | MoKα | 0.0984 | 0.0442 | null | null | null | 0.0915 | null | null | null | null | null | 1.018 | null | null | has coordinates | Cho, Nam Sook; Hong, Soon Il; Kim, Jin-Gyu; Suh, Il-Hwan
4,17,25,26-Tetraaza-6,9,12,15-tetraoxa-2,19,21,24-tetrathiatricyclo[18.4.1^1,4^.1^17,20^]hexacosa-1(25),20(26)-diene-3,5,16,18-tetraone
Acta Crystallographica Section C
56(2)
(2000)
229-230 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,630 | 11.415 | 0.004 | 11.415 | 0.004 | 8.0552 | 0.0008 | 90 | null | 90 | null | 120 | null | 909 | 0.5 | 293 | 2 | 291 | 2 | null | null | null | null | 7 | P 3 | P 3 | 143 | - C12 H60 Cl7 Co2 N12 Na O6 - | - C12 H48 Cl7 Co2 N12 Na O6 - | - C12 H48 Cl7 Co2 N12 Na O6 - | 1 | 0.333333 | KA1333 | Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian | Redetermination of the double salt Λ-[tris(ethylenediamine)cobalt(III) trichloride]‒sodium chloride‒water (2/1/6) | Acta Crystallographica Section C | 2,000 | 56 | 2 | 149 | 151 | 10.1107/S0108270199013116 | 0.71073 | MoKα | 0.047 | 0.047 | null | null | null | 0.144 | null | null | null | null | null | 1.198 | null | null | has coordinates,has Fobs | Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian
Redetermination of the double salt Λ-[tris(ethylenediamine)cobalt(III) trichloride]‒sodium chloride‒water (2/1/6)
Acta Crystallographica Section C
56(2)
(2000)
149-151 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,631 | 13.238 | 0.0011 | 5.9089 | 0.0004 | 16.3148 | 0.0015 | 90 | null | 111.335 | 0.009 | 90 | null | 1,188.72 | 0.18 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (R)-(-)-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid . L-(-)-ephedrine | (R)-(-)-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid L-(-)-ephedrine | - C25 H28 Cl2 N2 O3 - | - C25 H28 Cl2 N2 O3 - | - C50 H56 Cl4 N4 O6 - | 2 | 1 | KA1342 | Manfred Zabel; Josef Breu; Franz Rau; Klaus-Jürgen Range; Volker Krey; Anka Uffrecht; Armin Buschauer | Absolute configuration of ({-})-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid: essential information to determine crucial steric features of arpromidine-type histamine H~2~ receptor agonists | Acta Crystallographica Section C | 2,000 | 56 | 2 | 250 | 251 | 10.1107/S0108270199014699 | 0.71069 | MoKα | 0.0769 | 0.0398 | null | null | null | 0.0718 | null | null | null | null | null | 0.721 | null | null | has coordinates | Manfred Zabel; Josef Breu; Franz Rau; Klaus-Jürgen Range; Volker Krey; Anka Uffrecht; Armin Buschauer
Absolute configuration of ({-})-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid: essential information to determine crucial steric features of arpromidine-type histamine H~2~ receptor agonists
Acta Crystallographica ... | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,300,353 | 10.3789 | 0.0001 | 6.0394 | 0.0001 | 4.7211 | 0.0001 | 90 | null | 90 | null | 90 | null | 295.931 | 0.008 | 618 | null | 618 | null | 25,000 | null | 25,000 | null | 5 | P n m a | -P 2ac 2n | 62 | - Fe0.75 Li Mn0.25 O4 P - | - Fe0.75 Li Mn0.25 O4 P - | - Fe3 Li4 Mn O16 P4 - | 4 | 0.5 | KO5132 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo | Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles | Journal of Applied Crystallography | 2,011 | 44 | 2 | 287 | 294 | 10.1107/S0021889811006522 | powder diffraction | 0.94449 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo
Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles
Journal of Applied Crystallography
44(2)
(... | 287,987 | 2023-12-04 | 13:58:22 | #------------------------------------------------------------------------------
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2,010,632 | 5.4741 | 0.0009 | 7.3018 | 0.0007 | 26.791 | 0.003 | 90 | null | 90 | null | 90 | null | 1,070.9 | 0.2 | 134 | 2 | 134 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose | - C11 H13 F O4 - | - C11 H13 F O4 - | - C44 H52 F4 O16 - | 4 | 1 | KA1343 | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W. | 1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions | Acta Crystallographica Section C | 2,000 | 56 | 2 | 201 | 205 | 10.1107/S010827019901361X | 0.71073 | MoKα | 0.04 | 0.037 | null | null | null | 0.111 | null | null | null | null | null | 1.393 | null | null | has coordinates | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.
1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions
Acta Crystallographica Section C
56(2)
(2000)
201-205 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,633 | 6.7109 | 0.0014 | 6.7653 | 0.0007 | 22.846 | 0.003 | 90 | null | 90 | null | 90 | null | 1,037.2 | 0.3 | 135 | 2 | 135 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose | - C11 H13 F O4 - | - C11 H13 F O4 - | - C44 H52 F4 O16 - | 4 | 1 | KA1343 | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W. | 1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions | Acta Crystallographica Section C | 2,000 | 56 | 2 | 201 | 205 | 10.1107/S010827019901361X | 0.71073 | MoKα | 0.053 | 0.039 | null | null | null | 0.09 | null | null | null | null | null | 1.114 | null | null | has coordinates | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.
1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions
Acta Crystallographica Section C
56(2)
(2000)
201-205 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,634 | 29.356 | 0.006 | 5.3068 | 0.0007 | 7.353 | 0.0011 | 90 | null | 93.215 | 0.01 | 90 | null | 1,143.7 | 0.3 | 154 | 2 | 154 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | 1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose hemihydrate | - C11 H14 F O4.5 - | - C11 H14 F O4.5 - | - C44 H56 F4 O18 - | 4 | 1 | KA1343 | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W. | 1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions | Acta Crystallographica Section C | 2,000 | 56 | 2 | 201 | 205 | 10.1107/S010827019901361X | 0.71073 | MoKα | 0.036 | 0.034 | null | null | null | 0.1 | null | null | null | null | null | 1.486 | null | null | has coordinates | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.
1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions
Acta Crystallographica Section C
56(2)
(2000)
201-205 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,300,352 | 10.4008 | 0.0004 | 6.0523 | 0.0002 | 4.7324 | 0.0002 | 90 | null | 90 | null | 90 | null | 297.91 | 0.02 | 618 | null | 618 | null | 25,000 | null | 25,000 | null | 4 | P n m a | -P 2ac 2n | 62 | - Fe Li O4 P - | - Fe1.006 Li1.006 O4 P - | - Fe4.024 Li4.024 O16 P4 - | 4 | 0.5 | KO5132 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo | Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles | Journal of Applied Crystallography | 2,011 | 44 | 2 | 287 | 294 | 10.1107/S0021889811006522 | powder diffraction | 0.99814 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo
Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles
Journal of Applied Crystallography
44(2)
(... | 176,342 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,635 | 14.684 | 0.002 | 4.6609 | 0.0006 | 15.772 | 0.002 | 90 | null | 99.476 | 0.011 | 90 | null | 1,064.7 | 0.2 | 134 | 2 | 134 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | 1'-deoxy-1'-(2,4-difluorophenyl)-β-D-ribofuranose | - C11 H12 F2 O4 - | - C11 H12 F2 O4 - | - C44 H48 F8 O16 - | 4 | 1 | KA1343 | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W. | 1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions | Acta Crystallographica Section C | 2,000 | 56 | 2 | 201 | 205 | 10.1107/S010827019901361X | 0.71073 | MoKα | 0.052 | 0.046 | null | null | null | 0.122 | null | null | null | null | null | 1.4 | null | null | has coordinates | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.
1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions
Acta Crystallographica Section C
56(2)
(2000)
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2,010,636 | 9.342 | 0.001 | 9.106 | 0.001 | 16.208 | 0.001 | 90 | null | 92.58 | 0.01 | 90 | null | 1,377.4 | 0.2 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H12 N4 O S - | - C15 H12 N4 O S - | - C60 H48 N16 O4 S4 - | 4 | 1 | KA1344 | Özbey, Süheyla; Ulusoy, Nuray; Kendi, Engin | 3-(2-Furyl)-6-(4-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine and its 6-phenyl analogue | Acta Crystallographica Section C | 2,000 | 56 | 2 | 222 | 224 | 10.1107/S0108270199014079 | 0.71073 | MoKα | null | 0.038 | null | null | null | 0.043 | null | null | null | null | null | 0.7 | null | null | has coordinates | Özbey, Süheyla; Ulusoy, Nuray; Kendi, Engin
3-(2-Furyl)-6-(4-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine and its 6-phenyl analogue
Acta Crystallographica Section C
56(2)
(2000)
222-224 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,637 | 8.799 | 0.002 | 9.302 | 0.001 | 15.5437 | 0.0001 | 90 | null | 97.4 | 0.01 | 90 | null | 1,261.6 | 0.3 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H10 N4 O S - | - C14 H10 N4 O S - | - C56 H40 N16 O4 S4 - | 4 | 1 | KA1344 | Özbey, Süheyla; Ulusoy, Nuray; Kendi, Engin | 3-(2-Furyl)-6-(4-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine and its 6-phenyl analogue | Acta Crystallographica Section C | 2,000 | 56 | 2 | 222 | 224 | 10.1107/S0108270199014079 | 0.71073 | MoKα | null | 0.037 | null | null | null | 0.042 | null | null | null | null | null | 0.74 | null | null | has coordinates,has Fobs | Özbey, Süheyla; Ulusoy, Nuray; Kendi, Engin
3-(2-Furyl)-6-(4-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine and its 6-phenyl analogue
Acta Crystallographica Section C
56(2)
(2000)
222-224 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,638 | 6.9997 | 0.0012 | 7.4134 | 0.0014 | 12.348 | 0.002 | 105.627 | 0.003 | 90.456 | 0.004 | 95.905 | 0.003 | 613.37 | 0.19 | 133 | 2 | 133 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | p-Nitrocatechol sulfate | 2-Hydroxy-5-nitrophenyl sulfate | - C6 H7 K2 N O9 S - | - C6 H7 K2 N O9 S - | - C12 H14 K4 N2 O18 S2 - | 2 | 1 | KA1345 | von Bülow, Rixa; Usón, Isabel | The dipotassium salt of <i>p</i>-nitrocatechol sulfate | Acta Crystallographica Section C | 2,000 | 56 | 2 | 152 | 153 | 10.1107/S0108270199013426 | 0.71073 | MoKα | 0.0454 | 0.0351 | null | null | null | 0.0973 | null | null | null | null | null | 1.075 | null | null | has coordinates,has Fobs | von Bülow, Rixa; Usón, Isabel
The dipotassium salt of <i>p</i>-nitrocatechol sulfate
Acta Crystallographica Section C
56(2)
(2000)
152-153 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,639 | 18.944 | 0.003 | 18.944 | 0.003 | 6.3326 | 0.0011 | 90 | null | 90 | null | 90 | null | 2,272.6 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -4 21 c | P -4 2n | 114 | Sodium diphenylacetate | - C14 H11 Na O2 - | - C14 H11 Na O2 - | - C112 H88 Na8 O16 - | 8 | 1 | LN1088 | Paixão, J. A.; Nascimento, F. V.; Matos Beja, A.; Ramos Silva, M. | Sodium diphenylacetate, an infinite columnar structure | Acta Crystallographica Section C | 2,000 | 56 | 2 | 168 | 170 | 10.1107/S0108270199014080 | 0.71073 | MoKα | 0.078 | 0.038 | null | null | null | 0.106 | null | null | null | null | null | 1.076 | null | null | has coordinates,has Fobs | Paixão, J. A.; Nascimento, F. V.; Matos Beja, A.; Ramos Silva, M.
Sodium diphenylacetate, an infinite columnar structure
Acta Crystallographica Section C
56(2)
(2000)
168-170 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,640 | 6.221 | 0.001 | 22.263 | 0.001 | 9.411 | 0.001 | 90 | null | 97.3 | 0.02 | 90 | null | 1,292.8 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1:1 Complex of 4-nitrobenzoic acid and 4-nitropyridine N-oxide | - C12 H9 N3 O7 - | - C12 H9 N3 O7 - | - C48 H36 N12 O28 - | 4 | 1 | NA1431 | Moreno-Fuquen, Rodolfo; Ribeiro de Castro, Eustaquio Vinicius; Moreno, Margarita; De Almeida Santos, Regina Helena; Montaño, Angela Marcela | 1:1 Complex of 4-nitrobenzoic acid and 4-nitropyridine <i>N</i>-oxide | Acta Crystallographica Section C | 2,000 | 56 | 2 | 206 | 207 | 10.1107/S0108270199013724 | 0.71073 | MoKα | 0.094 | 0.044 | null | 0.132 | 0.094 | null | null | null | 1.077 | 1.033 | 1.033 | null | null | null | has coordinates,has Fobs | Moreno-Fuquen, Rodolfo; Ribeiro de Castro, Eustaquio Vinicius; Moreno, Margarita; De Almeida Santos, Regina Helena; Montaño, Angela Marcela
1:1 Complex of 4-nitrobenzoic acid and 4-nitropyridine <i>N</i>-oxide
Acta Crystallographica Section C
56(2)
(2000)
206-207 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,641 | 10.5062 | 0.0005 | 8.594 | 0.0004 | 6.3562 | 0.0003 | 90 | null | 90 | null | 90 | null | 573.9 | 0.05 | 293 | null | 293 | null | null | null | null | null | 4 | P n a m | -P 2c 2n | 62 | 1-methyl-3-nitro-pyrazole | - C4 H5 N3 O2 - | - C4 H5 N3 O2 - | - C16 H20 N12 O8 - | 4 | 0.5 | NA1434 | Foces-Foces, C.; Jagerovic, N.; Elguero, J. | Weak C–H···O and C–H···N interactions in nitropyrazoles | Acta Crystallographica Section C | 2,000 | 56 | 2 | 215 | 218 | 10.1107/S0108270199013876 | 1.54178 | CuKα | 0.043 | 0.043 | null | 0.045 | null | 0.045 | null | null | 1.016 | null | null | 1.016 | null | null | has coordinates,has Fobs | Foces-Foces, C.; Jagerovic, N.; Elguero, J.
Weak C–H···O and C–H···N interactions in nitropyrazoles
Acta Crystallographica Section C
56(2)
(2000)
215-218 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,642 | 7.4197 | 0.0008 | 10.1803 | 0.0015 | 8.3529 | 0.001 | 90 | null | 112.924 | 0.008 | 90 | null | 581.1 | 0.13 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1-methyl-4-nitropyrazole | - C4 H5 N3 O2 - | - C4 H5 N3 O2 - | - C16 H20 N12 O8 - | 4 | 1 | NA1434 | Foces-Foces, C.; Jagerovic, N.; Elguero, J. | Weak C–H···O and C–H···N interactions in nitropyrazoles | Acta Crystallographica Section C | 2,000 | 56 | 2 | 215 | 218 | 10.1107/S0108270199013876 | 1.54178 | CuKα | 0.081 | 0.071 | null | 0.087 | null | 0.08 | null | null | 0.998 | null | null | 1.005 | null | null | has coordinates,has Fobs | Foces-Foces, C.; Jagerovic, N.; Elguero, J.
Weak C–H···O and C–H···N interactions in nitropyrazoles
Acta Crystallographica Section C
56(2)
(2000)
215-218 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010642.cif $
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2,010,643 | 91.116 | 0.017 | 4.932 | 0.004 | 8.997 | 0.01 | 90 | null | 93.01 | 0.04 | 90 | null | 4,038 | 6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | γ-form of n-Eicosanol | - C20 H42 O - | - C20 H42 O - | - C160 H336 O8 - | 8 | 1 | NA1435 | Michaud, François; Ventolà, Lourdes; Calvet, M. Teresa; Cuevas-Diarte, Miquel Angel; Solans, Xavier; Font-Bardía, Mercé | The γ-form of <i>n</i>-eicosanol | Acta Crystallographica Section C | 2,000 | 56 | 2 | 219 | 221 | 10.1107/S010827019901392X | 0.71069 | MoKα | 0.07 | 0.041 | null | null | null | 0.159 | null | null | null | null | null | 0.978 | null | null | has coordinates | Michaud, François; Ventolà, Lourdes; Calvet, M. Teresa; Cuevas-Diarte, Miquel Angel; Solans, Xavier; Font-Bardía, Mercé
The γ-form of <i>n</i>-eicosanol
Acta Crystallographica Section C
56(2)
(2000)
219-221 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,644 | 8.867 | 0.001 | 4.8579 | 0.0002 | 29.39 | 0.002 | 90 | null | 96.05 | 0.01 | 90 | null | 1,258.92 | 0.18 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | morpholine β-iodophenylacetylene complex (1:1) | - C12 H14 I N O - | - C12 H14 I N O - | - C48 H56 I4 N4 O4 - | 4 | 1 | NA1436 | Batsanov, Andrei S.; Howard, Judith A. K. | Morpholine–β-iodophenylacetylene (1/1) revisited: an exceptionally short I···N contact | Acta Crystallographica Section C | 2,000 | 56 | 2 | 252 | 253 | 10.1107/S0108270199014705 | 0.71073 | MoKα | 0.032 | 0.0286 | null | null | null | 0.0583 | null | null | null | null | null | 1.295 | null | null | has coordinates,has Fobs | Batsanov, Andrei S.; Howard, Judith A. K.
Morpholine–β-iodophenylacetylene (1/1) revisited: an exceptionally short I···N contact
Acta Crystallographica Section C
56(2)
(2000)
252-253 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/06/2010644.cif $
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2,010,645 | 14.134 | 0.002 | 12.491 | 0.002 | 12.063 | 0.002 | 90 | null | 119.483 | 0.01 | 90 | null | 1,853.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 4-[(4-Hydroxybenzylidene)amino]-1,2,4-triazole Hemihydrate | - C9 H9 N4 O1.5 - | - C9 H9 N4 O1.5 - | - C72 H72 N32 O12 - | 8 | 1 | NA1438 | Zhu, Dun-Ru; Xu, Yan; Liu, Yong-Jiang; Song, You; Zhang, Yong; You, Xiao-Zeng | 4-(4-Hydroxybenzylideneamino)-4<i>H</i>-1,2,4-triazole hemihydrate | Acta Crystallographica Section C | 2,000 | 56 | 2 | 242 | 243 | 10.1107/S0108270199014572 | 0.71073 | MoKα | 0.0874 | 0.0567 | null | 0.1847 | null | 0.1554 | null | null | 1.102 | null | null | 1.166 | null | null | has coordinates | Zhu, Dun-Ru; Xu, Yan; Liu, Yong-Jiang; Song, You; Zhang, Yong; You, Xiao-Zeng
4-(4-Hydroxybenzylideneamino)-4<i>H</i>-1,2,4-triazole hemihydrate
Acta Crystallographica Section C
56(2)
(2000)
242-243 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,646 | 5.787 | 0.001 | 29.089 | 0.003 | 11.881 | 0.001 | 90 | null | 100.49 | 0.01 | 90 | null | 1,966.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | (E)-5-[(4-Nitrophenylhydrazono)phenylacetyl]-3-phenylisoxazole | - C23 H16 N4 O4 - | - C23 H16 N4 O4 - | - C92 H64 N16 O16 - | 4 | 1 | NA1439 | Bruno, Giuseppe; Nicoló, Francesco; Panzalorto, Manuela; Gattuso, Mario; La Torre, G. Loredana | (<i>E</i>)-5-[(4-Nitrophenylhydrazono)phenylacetyl]-3-phenylisoxazole | Acta Crystallographica Section C | 2,000 | 56 | 2 | 254 | 255 | 10.1107/S0108270199014675 | 0.71073 | MoKα | 0.069 | 0.034 | null | 0.079 | 0.072 | null | null | null | 0.835 | 0.835 | 0.835 | null | null | null | has coordinates,has disorder,has Fobs | Bruno, Giuseppe; Nicoló, Francesco; Panzalorto, Manuela; Gattuso, Mario; La Torre, G. Loredana
(<i>E</i>)-5-[(4-Nitrophenylhydrazono)phenylacetyl]-3-phenylisoxazole
Acta Crystallographica Section C
56(2)
(2000)
254-255 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,647 | 16.983 | 0.004 | 8.863 | 0.002 | 9.784 | 0.004 | 90 | null | 103.67 | 0.03 | 90 | null | 1,431 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5(6H)-one | - C16 H11 Cl N4 O - | - C16 H11 Cl N4 O - | - C64 H44 Cl4 N16 O4 - | 4 | 1 | NA1441 | Alberto Borassi; Maria M. Carnasciali; Angelo Mugnoli; Giorgio Roma | 8-Chloro-6-phenyl-4<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepin-5(6<i>H</i>)-one | Acta Crystallographica Section C | 2,000 | 56 | 2 | 258 | 259 | 10.1107/S0108270199014754 | 0.7107 | MoKα | null | 0.04 | null | null | null | 0.1098 | null | null | null | null | null | 1.038 | null | null | has coordinates,has Fobs | Alberto Borassi; Maria M. Carnasciali; Angelo Mugnoli; Giorgio Roma
8-Chloro-6-phenyl-4<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepin-5(6<i>H</i>)-one
Acta Crystallographica Section C
56(2)
(2000)
258-259 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,648 | 14.923 | 0.002 | 9.9557 | 0.001 | 15.728 | 0.002 | 90 | null | 95.088 | 0.01 | 90 | null | 2,327.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | (Dicyclohexyldithiophosphinato-S,S')-[2-(2-pyridyl-N)phenyl]mercury(II) | - C23 H30 Hg N P S2 - | - C23 H30 Hg N P S2 - | - C92 H120 Hg4 N4 P4 S8 - | 4 | 1 | NA1445 | Casas, José S.; Castellano, Eduardo E.; García Tasende, M.S.; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.; Zukerman-Schpector, Julio | (Dicyclohexyldithiophosphinato-<i>S</i>,<i>S</i>')[2-(2-pyridyl-<i>N</i>)phenyl]mercury(II) | Acta Crystallographica Section C | 2,000 | 56 | 2 | 182 | 183 | 10.1107/S0108270199015048 | 0.71073 | MoKα | 0.119 | 0.039 | null | null | null | 0.103 | null | null | null | null | null | 0.961 | null | null | has coordinates,has Fobs | Casas, José S.; Castellano, Eduardo E.; García Tasende, M.S.; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.; Zukerman-Schpector, Julio
(Dicyclohexyldithiophosphinato-<i>S</i>,<i>S</i>')[2-(2-pyridyl-<i>N</i>)phenyl]mercury(II)
Acta Crystallographica Section C
56(2)
(2000)
182-183 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,649 | 9.731 | 0.002 | 9.638 | 0.001 | 13.772 | 0.001 | 90 | null | 107.66 | 0.01 | 90 | null | 1,230.8 | 0.3 | 203 | 2 | 203 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Octacarbonyl-bis(μ-4-methoxyphenyl-sulphido)-dirhenium | - C22 H14 O10 Re2 S2 - | - C22 H14 O10 Re2 S2 - | - C44 H28 O20 Re4 S4 - | 2 | 0.5 | NA1446 | Flörke, Ulrich; Egold, Hans; Schwarze, Detlev | Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores | Acta Crystallographica Section C | 2,000 | 56 | 2 | 184 | 186 | 10.1107/S0108270199015152 | 0.71073 | MoKα | 0.0339 | 0.0262 | null | null | null | 0.0627 | null | null | null | null | null | 1.049 | null | null | has coordinates,has Fobs | Flörke, Ulrich; Egold, Hans; Schwarze, Detlev
Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores
Acta Crystallographica Section C
56(2)
(2000)
184-186 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,650 | 24.561 | 0.003 | 9.378 | 0.003 | 23.722 | 0.003 | 90 | null | 112.63 | 0.01 | 90 | null | 5,043.3 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Hexacarbonyl-bis(dicyclohexylphosphane)-bis(μ-naphthyl- sulfido)-dirhenium | - C50 H60 O6 P2 Re2 S2 - | - C50 H60 O6 P2 Re2 S2 - | - C200 H240 O24 P8 Re8 S8 - | 4 | 0.5 | NA1446 | Flörke, Ulrich; Egold, Hans; Schwarze, Detlev | Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores | Acta Crystallographica Section C | 2,000 | 56 | 2 | 184 | 186 | 10.1107/S0108270199015152 | 0.71073 | MoKα | 0.1351 | 0.0469 | null | null | null | 0.1174 | null | null | null | null | null | 1.021 | null | null | has coordinates,has Fobs | Flörke, Ulrich; Egold, Hans; Schwarze, Detlev
Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores
Acta Crystallographica Section C
56(2)
(2000)
184-186 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 176760 $
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2,010,651 | 9.505 | 0.002 | 11.2518 | 0.0009 | 9.464 | 0.002 | 103.1 | 0.01 | 110.52 | 0.01 | 87.93 | 0.01 | 922.2 | 0.3 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C14 H22 N6 O6 Pt - | - C14 H22 N6 O6 Pt - | - C28 H44 N12 O12 Pt2 - | 2 | 1 | OA1096 | Noguchi, Kishie; Tamura, Takashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken | Linkage isomerism of organoplatinum(II) compounds coordinated by two 1,3-dimethylbarbiturate anions | Acta Crystallographica Section C | 2,000 | 56 | 2 | 171 | 173 | 10.1107/S0108270199014109 | 0.71069 | MoKα | 0.0381 | 0.0263 | null | null | null | 0.061 | null | null | null | null | null | 1.028 | null | null | has coordinates | Noguchi, Kishie; Tamura, Takashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken
Linkage isomerism of organoplatinum(II) compounds coordinated by two 1,3-dimethylbarbiturate anions
Acta Crystallographica Section C
56(2)
(2000)
171-173 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,652 | 12.84 | 0.002 | 10.7834 | 0.0009 | 14.727 | 0.002 | 90 | null | 107.051 | 0.009 | 90 | null | 1,949.5 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H26 N6 O8 Pt - | - C14 H26 N6 O8 Pt - | - C56 H104 N24 O32 Pt4 - | 4 | 1 | OA1096 | Noguchi, Kishie; Tamura, Takashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken | Linkage isomerism of organoplatinum(II) compounds coordinated by two 1,3-dimethylbarbiturate anions | Acta Crystallographica Section C | 2,000 | 56 | 2 | 171 | 173 | 10.1107/S0108270199014109 | 0.71069 | MoKα | 0.0479 | 0.0271 | null | null | null | 0.0653 | null | null | null | null | null | 1.016 | null | null | has coordinates,has disorder | Noguchi, Kishie; Tamura, Takashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken
Linkage isomerism of organoplatinum(II) compounds coordinated by two 1,3-dimethylbarbiturate anions
Acta Crystallographica Section C
56(2)
(2000)
171-173 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,653 | 8.7942 | 0.0011 | 12.3337 | 0.0015 | 17.291 | 0.002 | 90 | null | 101.201 | 0.002 | 90 | null | 1,839.7 | 0.4 | 298 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Hexaaquabis(dimethylsulphoxide)yttrium(III) Chloride | Hexaaquabis(dimethylsulphoxide)yttrium(III) Chloride | - C4 H24 Cl3 O8 S2 Y - | - C4 H24 Cl3 O8 S2 Y - | - C16 H96 Cl12 O32 S8 Y4 - | 4 | 1 | OS1077 | Kristiansson, Olof; Lindqvist-Reis, Patric | Hexaaquabis(dimethyl sulfoxide)yttrium(III) trichloride | Acta Crystallographica Section C | 2,000 | 56 | 2 | 163 | 164 | 10.1107/S0108270199014092 | 0.71073 | MoKα | 0.094 | 0.0442 | null | null | null | 0.0986 | null | null | null | null | null | 0.941 | null | null | has coordinates | Kristiansson, Olof; Lindqvist-Reis, Patric
Hexaaquabis(dimethyl sulfoxide)yttrium(III) trichloride
Acta Crystallographica Section C
56(2)
(2000)
163-164 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,654 | 7.2661 | 0.001 | 12.2749 | 0.0018 | 14.803 | 0.002 | 90 | null | 95.084 | 0.002 | 90 | null | 1,315.1 | 0.3 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis(4-aminopyridine)silver(I)nitrate | Bis(4-aminopyridine)silver(I)nitrate | - C10 H12 Ag N5 O3 - | - C10 H12 Ag N5 O3 - | - C40 H48 Ag4 N20 O12 - | 4 | 0.5 | OS1082 | Kristiansson, Olof | Bis(4-aminopyridine)silver(I) nitrate and tris(2,6-diaminopyridine)silver(I) nitrate | Acta Crystallographica Section C | 2,000 | 56 | 2 | 165 | 167 | 10.1107/S0108270199014432 | 0.71073 | MoKα | 0.0419 | 0.0331 | null | null | null | 0.0941 | null | null | null | null | null | 0.977 | null | null | has coordinates,has Fobs | Kristiansson, Olof
Bis(4-aminopyridine)silver(I) nitrate and tris(2,6-diaminopyridine)silver(I) nitrate
Acta Crystallographica Section C
56(2)
(2000)
165-167 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,655 | 8.9276 | 0.0007 | 11.1291 | 0.0009 | 19.7562 | 0.0015 | 90 | null | 90 | null | 90 | null | 1,962.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Tris(2,6-diaminopyridine)silver(I)nitrate ? | - C15 H21 Ag N10 O3 - | - C15 H21 Ag N10 O3 - | - C60 H84 Ag4 N40 O12 - | 4 | 1 | OS1082 | Kristiansson, Olof | Bis(4-aminopyridine)silver(I) nitrate and tris(2,6-diaminopyridine)silver(I) nitrate | Acta Crystallographica Section C | 2,000 | 56 | 2 | 165 | 167 | 10.1107/S0108270199014432 | 0.71073 | MoKα | 0.0311 | 0.024 | null | null | null | 0.0545 | null | null | null | null | null | 0.937 | null | null | has coordinates | Kristiansson, Olof
Bis(4-aminopyridine)silver(I) nitrate and tris(2,6-diaminopyridine)silver(I) nitrate
Acta Crystallographica Section C
56(2)
(2000)
165-167 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,656 | 11.374 | 0.002 | 11.374 | null | 22.939 | 0.003 | 90 | null | 90 | null | 90 | null | 2,967.6 | 0.7 | 298.2 | null | 298.2 | null | null | null | null | null | 4 | P 41 21 2 | P 4abw 2nw | 92 | 4-(4-methylsulfonylphenyl)-3-phenyl-2,5-dihydro-2-furanone | - C17 H14 O4 S - | - C17 H14 O4 S - | - C136 H112 O32 S8 - | 8 | 1 | QA0199 | Shashi Rekha, K.; Vyas, K.; Haricharan Raju, C. M.; Chandrashekar, B.; Om Reddy, G. | Viox, a COX-II inhibitor | Acta Crystallographica Section C | 2,000 | 56 | 2 | e68 | e68 | 10.1107/S0108270100001062 | 1.5418 | CuKα | 0.042 | 0.042 | null | 0.059 | null | 0.059 | null | null | 1.74 | null | null | 1.74 | null | null | has coordinates | Shashi Rekha, K.; Vyas, K.; Haricharan Raju, C. M.; Chandrashekar, B.; Om Reddy, G.
Viox, a COX-II inhibitor
Acta Crystallographica Section C
56(2)
(2000)
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2,010,657 | 9.9277 | 0.0002 | 16.4556 | 0.0003 | 12.4895 | 0.0002 | 90 | null | 97.594 | 0.001 | 90 | null | 2,022.47 | 0.06 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | L-Methionyl-L-alanine 2-propanol solvate | - C14 H32 N2 O5 S - | - C14 H32 N2 O5 S - | - C56 H128 N8 O20 S4 - | 4 | 2 | QA0200 | Görbitz, Carl Henrik | <small>L</small>-Methionyl-<small>L</small>-alanine–2-propanol (1/2) | Acta Crystallographica Section C | 2,000 | 56 | 2 | e64 | e65 | 10.1107/S0108270100000548 | 0.71073 | MoKα | 0.117 | 0.078 | null | null | null | 0.202 | null | null | null | null | null | 1.01 | null | null | has coordinates,has disorder,has Fobs | Görbitz, Carl Henrik
<small>L</small>-Methionyl-<small>L</small>-alanine–2-propanol (1/2)
Acta Crystallographica Section C
56(2)
(2000)
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2,010,658 | 11.0306 | 0.0019 | 15.111 | 0.003 | 17.554 | 0.003 | 84.38 | 0.02 | 80.36 | 0.02 | 85.82 | 0.02 | 2,866 | 0.9 | 180 | 2 | 180 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Triphenylphoshine | - C18 H15 P - | - C18 H15 P - | - C144 H120 P8 - | 8 | 4 | QA0201 | Ziemer, Burkhard; Rabis, Annegrit; Hans-Uwe Steinberger | Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide | Acta Crystallographica Section C | 2,000 | 56 | 2 | e58 | e59 | 10.1107/S0108270100000433 | 0.71073 | MoKα | 0.0646 | 0.0422 | null | null | null | 0.1114 | null | null | null | null | null | 0.919 | null | null | has coordinates | Ziemer, Burkhard; Rabis, Annegrit; Hans-Uwe Steinberger
Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide
Acta Crystallographica Section C
56(2)
(2000)
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2,010,659 | 9.542 | 0.003 | 11.207 | 0.003 | 14.537 | 0.004 | 88.89 | 0.04 | 80.39 | 0.04 | 78.28 | 0.03 | 1,500.6 | 0.8 | 180 | 2 | 180 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Triphenylphosphinsulfide | - C18 H15 P S - | - C18 H15 P S - | - C72 H60 P4 S4 - | 4 | 2 | QA0201 | Ziemer, Burkhard; Rabis, Annegrit; Hans-Uwe Steinberger | Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide | Acta Crystallographica Section C | 2,000 | 56 | 2 | e58 | e59 | 10.1107/S0108270100000433 | 0.71073 | MoKα | 0.0387 | 0.0293 | null | null | null | 0.0786 | null | null | null | null | null | 0.974 | null | null | has coordinates | Ziemer, Burkhard; Rabis, Annegrit; Hans-Uwe Steinberger
Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide
Acta Crystallographica Section C
56(2)
(2000)
e58-e59 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,660 | 16.645 | 0.002 | 25.768 | 0.002 | 7.066 | 0.003 | 90 | null | 90 | null | 90 | null | 3,030.7 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | Oleana-12(13), 15(16)-diene-3α, 28 diol diacetate | - C34 H52 O4 - | - C34 H52 O4 - | - C136 H208 O16 - | 4 | 1 | QA0202 | Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Achari, Basudeb; Bocelli, Gabriele; Righi, Lara | Oleana-12(13),15(16)-diene-3α,28-diyl diacetate | Acta Crystallographica Section C | 2,000 | 56 | 2 | e60 | e61 | 10.1107/S0108270100000445 | 1.54178 | CuKα | 0.0502 | 0.0463 | null | 0.141 | null | 0.1367 | null | null | 1.123 | null | null | 1.162 | null | null | has coordinates | Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Achari, Basudeb; Bocelli, Gabriele; Righi, Lara
Oleana-12(13),15(16)-diene-3α,28-diyl diacetate
Acta Crystallographica Section C
56(2)
(2000)
e60-e61 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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