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
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int64
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int64
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string
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int64
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string
2,001,805
9.797
0.004
15.039
0.007
20.135
0.008
90
null
90
null
90
null
2,967
2
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C31 H46 Cl2 O7 -
- C31 H46 Cl3 O7 -
- C124 H184 Cl12 O28 -
4
1
HH0595
Toscano, R. A.; Ortega, A.; Maldonado, E.; Gaviño, R.; Lozoya, X.; Tortoriello, J.
Structure of galphimine B
Acta Crystallographica Section C
1,993
49
4
774
776
10.1107/S0108270192006644
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Toscano, R. A.; Ortega, A.; Maldonado, E.; Gaviño, R.; Lozoya, X.; Tortoriello, J. Structure of galphimine B Acta Crystallographica Section C 49(4) (1993) 774-776
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001805.cif $ #-------------------------------------------------------------------...
2,001,806
12.78
0.001
6.478
0.001
16.832
0.002
90
null
93
0.01
90
null
1,391.6
0.3
null
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- C30 H34 O7 -
- C30 H34 O7 -
- C60 H68 O14 -
2
1
ST1029
Abboud, K. A.; Jiang, S.; Enholm, E. J.
Structure of a coupled carbohydrate and terpene
Acta Crystallographica Section C
1,993
49
4
776
778
10.1107/S0108270192010655
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Abboud, K. A.; Jiang, S.; Enholm, E. J. Structure of a coupled carbohydrate and terpene Acta Crystallographica Section C 49(4) (1993) 776-778
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001806.cif $ #-------------------------------------------------------------------...
2,001,807
10.402
0.002
15.025
0.003
9.467
0.002
90
null
96.24
0.03
90
null
1,470.8
0.5
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C8 H6 N2 O2 -
- C8 H6 N2 O2 -
- C64 H48 N16 O16 -
8
2
NA1014
Benetollo, F.; Del Pra, A.
Structure of 1<i>H</i>-indazole-3-carboxylic acid
Acta Crystallographica Section C
1,993
49
4
779
781
10.1107/S0108270192010618
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Benetollo, F.; Del Pra, A. Structure of 1<i>H</i>-indazole-3-carboxylic acid Acta Crystallographica Section C 49(4) (1993) 779-781
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001807.cif $ #-------------------------------------------------------------------...
2,001,808
10.075
0.001
8.257
0.001
7.482
0.001
90
null
90
null
90
null
622.42
0.13
293
null
293
1
null
null
null
null
5
C m c m
-C 2c 2
63
Dithallium pentafluoroaluminate hydrate
- Al F5 H2 O Tl2 -
- Al F5 O Tl2 -
- Al4 F20 O4 Tl8 -
4
0.25
SE1018
Molinier, M.; Massa, W.
Refinement of the structure of Tl~2~AlF~5~.H~2~O
Acta Crystallographica Section C
1,993
49
4
782
784
10.1107/S010827019201148X
0.71069
MoKα
null
0.0382
null
null
0.0301
null
null
null
null
2.47
2.47
null
null
null
has coordinates
Molinier, M.; Massa, W. Refinement of the structure of Tl~2~AlF~5~.H~2~O Acta Crystallographica Section C 49(4) (1993) 782-784
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001808.cif $ #-------------------------------------------------------------------...
1,501,465
5.373
null
5.373
null
8.847
null
90
null
90
null
120
null
221.187
null
null
null
null
null
null
null
null
null
2
P 63/m m c
-P 6c 2c
194
- Tc2 Y -
- Tc2 Y -
- Tc8 Y4 -
4
0.166667
Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan
Nuclear quadrupole moment of the 99Tc ground state
Physical Review B
2,008
77
195118
10.1103/PhysRevB.77.195118
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan Nuclear quadrupole moment of the 99Tc ground state Physical Review B 77 (2008) 195118
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/14/1501465.cif $ #-------------------------------------------------------------------...
2,001,809
10.0049
0.0011
11.7555
0.0012
6.5374
0.0005
90
null
99.687
0.006
90
null
757.92
0.13
298
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- As2 Hg3 O8 -
- As2 Hg3 O8 -
- As8 Hg12 O32 -
4
1
MU1008
Larsson, A.-K.; Lidin, S.; Stålhandske, C.; Albertsson, J.
Mercury(II) arsenate, a graphtonite-type structure
Acta Crystallographica Section C
1,993
49
4
784
786
10.1107/S0108270192010588
0.71069
MoKα
null
0.0446
null
null
0.0531
null
null
null
null
1.48
1.48
null
null
null
has coordinates
Larsson, A.-K.; Lidin, S.; Stålhandske, C.; Albertsson, J. Mercury(II) arsenate, a graphtonite-type structure Acta Crystallographica Section C 49(4) (1993) 784-786
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001809.cif $ #-------------------------------------------------------------------...
2,001,810
9.45
0.001
9.45
0.001
19.068
0.009
90
null
90
null
90
null
1,702.8
0.8
300
null
null
null
null
null
null
null
3
P 4/m n c
-P 4 2n
null
- In Nb3 Se12 -
- In Nb3 Se12 -
- In4 Nb12 Se48 -
4
0.25
MU1022
Deng, S.; Zhuang, H.; Huang, Jinshun; Huang, Jingling
A new one-dimensional compound: synthesis and structure of InNb~3~(Se~2~)~6~
Acta Crystallographica Section C
1,993
49
4
786
788
10.1107/S0108270192010904
0.71069
MoKα
null
0.045
null
null
0.051
null
null
null
null
1.15
1.15
null
null
null
has coordinates
Deng, S.; Zhuang, H.; Huang, Jinshun; Huang, Jingling A new one-dimensional compound: synthesis and structure of InNb~3~(Se~2~)~6~ Acta Crystallographica Section C 49(4) (1993) 786-788
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001810.cif $ #-------------------------------------------------------------------...
2,001,811
8.88
0.001
10.594
0.001
16.387
0.002
71.2
0.01
89.85
0.01
77.74
0.01
1,422.5
0.3
292
null
292
null
null
null
null
null
6
P -1
-P 1
2
1-Benzhydryl-4-(2-benzoylethyl)piperazonium Tetrachlorocuprate(II) Monohydrate
- C26 H32 Cl4 Cu N2 O2 -
- C26 H30 Cl4 Cu N2 O2.33 -
- C52 H60 Cl8 Cu2 N4 O4.66 -
2
1
MU1015
Macíček, J.; Tcholakova, J.; Parvanova, M.
Structure of 1-benzhydryl-4-(2-benzoylethyl)piperazinium tetrachlorocuprate(II) hydrate
Acta Crystallographica Section C
1,993
49
4
788
790
10.1107/S0108270192012058
0.71073
MoKα
0.139
0.098
null
0.084
0.076
null
null
null
2.727
3.089
3.089
null
null
null
has coordinates
Macíček, J.; Tcholakova, J.; Parvanova, M. Structure of 1-benzhydryl-4-(2-benzoylethyl)piperazinium tetrachlorocuprate(II) hydrate Acta Crystallographica Section C 49(4) (1993) 788-790
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001811.cif $ #-------------------------------------------------------------------...
2,001,812
10.07
0.002
8.156
0.001
28.82
0.007
90
null
92.49
0.02
90
null
2,364.8
0.8
230
null
null
null
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C19 H33 B4 Fe N Pb Si -
- C19 H33 B4 Fe N Pb Si -
- C76 H132 B16 Fe4 N4 Pb4 Si4 -
4
1
CR1014
Zhang, H.; Jia, L.; Hosmane, N. S.
1-(<i>N</i>,<i>N</i>-Dimethylferrocenylmethylamine)-2-methyl-3-(trimethylsilyl)-2,3-dicarba-1-plumba-<i>closo</i>-heptaborane(6)
Acta Crystallographica Section C
1,993
49
4
791
793
10.1107/S0108270192010576
0.71073
MoKα
null
0.039
null
null
0.042
null
null
null
null
1.04
1.04
null
null
null
has coordinates
Zhang, H.; Jia, L.; Hosmane, N. S. 1-(<i>N</i>,<i>N</i>-Dimethylferrocenylmethylamine)-2-methyl-3-(trimethylsilyl)-2,3-dicarba-1-plumba-<i>closo</i>-heptaborane(6) Acta Crystallographica Section C 49(4) (1993) 791-793
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001812.cif $ #-------------------------------------------------------------------...
2,001,813
13.409
0.003
20.196
0.005
16.517
0.004
90
null
90
null
90
null
4,472.9
1.8
295
null
null
null
null
null
null
null
6
P n a 21
P 2c -2n
null
- C43 H35 Cl3 N8 O13 Pt2 -
- C43 H34 Cl3 N8 O13 Pt2 -
- C172 H136 Cl12 N32 O52 Pt8 -
4
1
SP1005
Bailey, J. A.; Miskowski, V. M.; Gray, H. B.
A diphenylformamidinate-bridged terpyridineplatinum(II) dimer
Acta Crystallographica Section C
1,993
49
4
793
796
10.1107/S0108270192010229
0.71073
MoKα
null
0.03
null
null
0.003
null
null
null
null
2.07
2.07
null
null
null
has coordinates
Bailey, J. A.; Miskowski, V. M.; Gray, H. B. A diphenylformamidinate-bridged terpyridineplatinum(II) dimer Acta Crystallographica Section C 49(4) (1993) 793-796
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001813.cif $ #-------------------------------------------------------------------...
1,501,464
4.6594
null
4.6594
null
7.7433
null
90
null
90
null
120
null
145.585
null
null
null
null
null
null
null
null
null
2
P 63/m m c
-P 6c 2c
194
- Fe2 Mo -
- Fe2 Mo -
- Fe8 Mo4 -
4
0.166667
Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique
Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system
Physical Review B
2,011
83
18
184201
10.1103/PhysRevB.83.184201
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system Physical Review B 83(18) (2011) 184201
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/50/14/1501464.cif $ #-------------------------------------------------------------------...
2,001,814
11.656
0.004
13.798
0.005
13.738
0.005
90
null
92.45
0.03
90
null
2,207.5
1.4
293
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C16 H23 Cl4 N5 Zn2 -
- C16 H23 Cl4 N5 Zn2 -
- C64 H92 Cl16 N20 Zn8 -
4
1
CR1007
Sosa-Torres, M. E.; Ugalde-Saldívar, V. M.; Rosales-Hoz, M. J.; Toscano, R. A.
Structure of [1,9-bis(2-pyridyl)-2,5,8-triazanonane]zinc(II) tetrachlorozincate(II)
Acta Crystallographica Section C
1,993
49
4
796
799
10.1107/S0108270192010564
1.5418
CuKα
null
0.072
null
null
0.078
null
null
null
null
1.471
1.471
null
null
null
has coordinates
Sosa-Torres, M. E.; Ugalde-Saldívar, V. M.; Rosales-Hoz, M. J.; Toscano, R. A. Structure of [1,9-bis(2-pyridyl)-2,5,8-triazanonane]zinc(II) tetrachlorozincate(II) Acta Crystallographica Section C 49(4) (1993) 796-799
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001814.cif $ #-------------------------------------------------------------------...
2,001,815
9.149
0.0009
19.371
0.003
13.7536
0.0014
90
null
99.061
0.008
90
null
2,407.1
0.5
298
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C20 H20 Cl4 Cu2 N4 O4 -
- C20 H20 Cl4 Cu2 N4 O4 -
- C80 H80 Cl16 Cu8 N16 O16 -
4
1
HA1013
Blake, A. J.; Winpenny, R. E. P.
Tetrachlorobis(2-pyridone)-bis(μ~2~-2-pyridone)-dicopper
Acta Crystallographica Section C
1,993
49
4
799
801
10.1107/S010827019201117X
0.71073
MoKα
null
0.0382
null
null
0.0417
null
null
null
null
1.051
1.051
null
null
null
has coordinates
Blake, A. J.; Winpenny, R. E. P. Tetrachlorobis(2-pyridone)-bis(μ~2~-2-pyridone)-dicopper Acta Crystallographica Section C 49(4) (1993) 799-801
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001815.cif $ #-------------------------------------------------------------------...
2,001,816
7.5322
0.0007
12.652
0.002
17.985
0.004
90
null
90
null
90
null
1,713.9
0.5
298
3
null
null
null
null
null
null
6
P n 21 a
P -2ac -2n
null
- C13 H21 Cu N5 O2 S -
- C14 H19 Cu N5 O2 S -
- C56 H76 Cu4 N20 O8 S4 -
4
1
AS1017
Tahirov, T. H.; Lu, T.-H.; Luh, H.; Chung, C.-S.
Structure of [3,10-dimethyl-4,9-diaza-3,9-dodecadiene-2,11-dione dioximato(1‒)](isothiocyanato)copper(II)
Acta Crystallographica Section C
1,993
49
4
801
803
10.1107/S0108270192011089
0.7093
MoKα
null
0.034
null
null
0.036
null
null
null
null
1.2
1.2
null
null
null
has coordinates
Tahirov, T. H.; Lu, T.-H.; Luh, H.; Chung, C.-S. Structure of [3,10-dimethyl-4,9-diaza-3,9-dodecadiene-2,11-dione dioximato(1‒)](isothiocyanato)copper(II) Acta Crystallographica Section C 49(4) (1993) 801-803
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001816.cif $ #-------------------------------------------------------------------...
2,001,817
12.274
0.002
14.358
0.002
10.798
0.002
92.68
0.01
96.73
0.01
82.36
0.01
1,872.1
0.5
293
null
null
null
null
null
null
null
8
P -1
-P 1
2
{N^2^-[2,2-Bis(diphenylphosphino)ethyl]-N^1^,N^1^-dimethylethane-1,2-diamine}- 1κ^2^P,P':2κ^2^N^1^,N^2^-tetracarbonyl-1κ^4^C-dichloro-2κ^2^Cl- molybdenumzinc(II)
- C34 H34 Cl2 Mo N2 O4 P2 Zn -
- C34 H34 Cl2 Mo N2 O4 P2 Zn -
- C68 H68 Cl4 Mo2 N4 O8 P4 Zn2 -
2
1
SH1029
Flörke, U.; Haupt, H.-J.
{<i>N</i>^2^-[2,2-Bis(diphenylphosphino)ethyl]-<i>N</i>^1^,<i>N</i>^1^-dimethylethane-1,2-diamine}-1κ^2^<i>P</i>,<i>P</i>':2κ^2^<i>N</i>^1^,<i>N</i>^2^-tetracarbonyl-1κ^4^<i>C</i>-dichloro-2κ^2^<i>Cl</i>-molybdenumzinc(II), a bimetal complex with a hetero-bifunctional ligand
Acta Crystallographica Section C
1,993
49
4
803
805
10.1107/S010827019201237X
0.71073
MoKα
null
0.033
null
null
0.031
null
null
null
null
1.854
1.854
null
null
null
has coordinates
Flörke, U.; Haupt, H.-J. {<i>N</i>^2^-[2,2-Bis(diphenylphosphino)ethyl]-<i>N</i>^1^,<i>N</i>^1^-dimethylethane-1,2-diamine}-1κ^2^<i>P</i>,<i>P</i>':2κ^2^<i>N</i>^1^,<i>N</i>^2^-tetracarbonyl-1κ^4^<i>C</i>-dichloro-2κ^2^<i>Cl</i>-molybdenumzinc(II), a bimetal complex with a hetero-bifunctional ligand Acta Crystallograph...
208,360
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001817.cif $ #-------------------------------------------------------------------...
2,001,818
11.47
0.002
12.645
0.003
13.027
0.003
118.18
0.01
90.26
0.02
92.37
0.02
1,663.4
0.6
133
1
133
1
null
null
null
null
5
P -1
-P 1
2
η^3^-allylpalladium-μ-(η^1^:η^6^- diphenylmethyl)tricarbonylchromium
- C19 H16 Cr O3 Pd -
- C19 H15 Cr O3 Pd -
- C76 H60 Cr4 O12 Pd4 -
4
2
MU1029
Kalinin, V. N.; Cherepanov, I. A.; Moiseev, S. K.; Dolgushin, F. M.; Yanovsky, A. I.; Struchkov, Yu. T.
2-η^3^-Allyl-1,1,1-tricarbonyl-μ-(η^1^:η^6^-diphenylmethyl)chromiumpalladium(<i>Pd</i>‒<i>Cr</i>) at 130 K
Acta Crystallographica Section C
1,993
49
4
805
808
10.1107/S0108270192011223
0.71073
MoKα
0.0302
0.03
null
0.0623
0.063
null
null
null
1.044
1.063
1.063
null
null
null
has coordinates,has disorder
Kalinin, V. N.; Cherepanov, I. A.; Moiseev, S. K.; Dolgushin, F. M.; Yanovsky, A. I.; Struchkov, Yu. T. 2-η^3^-Allyl-1,1,1-tricarbonyl-μ-(η^1^:η^6^-diphenylmethyl)chromiumpalladium(<i>Pd</i>‒<i>Cr</i>) at 130 K Acta Crystallographica Section C 49(4) (1993) 805-808
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001818.cif $ #-------------------------------------------------------------------...
2,001,819
7.705
0.011
9.664
0.01
11.285
0.014
82.17
0.09
70.42
0.09
71.75
0.09
751.4
1.7
295
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C22 H42 Ba O10 -
- C22 H40 Ba O10 -
- C22 H40 Ba O10 -
1
0.5
CR1022
Rheingold, A. L.; White, C. B.; Haggerty, B. S.; Kirlin, P.; Gardiner, R. A.
Barium bis(trimethylacetate)–18-crown-6 (1/1)
Acta Crystallographica Section C
1,993
49
4
808
810
10.1107/S0108270192010825
0.71073
MoKα
null
0.0561
null
null
0.0732
null
null
null
null
1.72
1.72
null
null
null
has coordinates
Rheingold, A. L.; White, C. B.; Haggerty, B. S.; Kirlin, P.; Gardiner, R. A. Barium bis(trimethylacetate)–18-crown-6 (1/1) Acta Crystallographica Section C 49(4) (1993) 808-810
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001819.cif $ #-------------------------------------------------------------------...
2,001,820
11.5961
0.0008
3.6323
0.0004
18.531
0.001
90
null
94.02
0.006
90
null
778.61
0.11
110
null
110
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
3,4,5-trihydroxybenzohydroxamic acid, monohydrate
- C7 H9 N O6 -
- C7 H9 N O6 -
- C28 H36 N4 O24 -
4
1
AB1042
Nielsen, B. B.; Larsen, I. K.
3,4,5-Trihydroxybenzohydroxamic acid monohydrate, a ribonucleotide reductase inhibitor
Acta Crystallographica Section C
1,993
49
4
810
813
10.1107/S0108270192011442
1.5418
CopperKα
null
0.045
null
null
0.064
null
null
null
null
2.091
2.091
null
null
null
has coordinates
Nielsen, B. B.; Larsen, I. K. 3,4,5-Trihydroxybenzohydroxamic acid monohydrate, a ribonucleotide reductase inhibitor Acta Crystallographica Section C 49(4) (1993) 810-813
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001820.cif $ #-------------------------------------------------------------------...
2,001,821
5.769
0.002
15.39
0.01
8.504
0.003
90
null
109.43
0.03
90
null
712
0.6
295
null
295
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Isopropylammonium-dihydrogen-monophosphate
- C3 H12 N O4 P -
- C3 H12 N O4 P -
- C12 H48 N4 O16 P4 -
4
1
PA1023
Averbuch-Pouchot, M.-T.
Isopropylammonium dihydrogenmonophosphate and isopropylammonium monohydrogenphosphite
Acta Crystallographica Section C
1,993
49
4
813
815
10.1107/S0108270192010898
0.7107
MoKα
0.048
0.025
null
null
0.027
null
null
null
null
0.39
0.39
null
null
null
has coordinates
Averbuch-Pouchot, M.-T. Isopropylammonium dihydrogenmonophosphate and isopropylammonium monohydrogenphosphite Acta Crystallographica Section C 49(4) (1993) 813-815
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001821.cif $ #-------------------------------------------------------------------...
2,001,822
8.125
0.009
12.677
0.01
7.172
0.009
90
null
90
null
90
null
738.7
1.4
293
null
293
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
isopropylammonium monohydrogen-phosphite
- C3 H12 N O3 P -
- H12 P8 -
- H48 P32 -
4
1
PA1023
Averbuch-Pouchot, M.-T.
Isopropylammonium dihydrogenmonophosphate and isopropylammonium monohydrogenphosphite
Acta Crystallographica Section C
1,993
49
4
813
815
10.1107/S0108270192010898
0.5608
AgKα
0.043
0.043
null
0.045
0.045
null
null
null
0.536
0.536
0.536
null
null
null
has coordinates
Averbuch-Pouchot, M.-T. Isopropylammonium dihydrogenmonophosphate and isopropylammonium monohydrogenphosphite Acta Crystallographica Section C 49(4) (1993) 813-815
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001822.cif $ #-------------------------------------------------------------------...
2,001,823
9.792
0.001
8.487
0.001
7.411
0.002
90
null
100.43
0.02
90
null
605.71
0.19
295
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
null
- C2 H8 N O5 P -
- C2 H9 N O5 P -
- C8 H36 N4 O20 P4 -
4
1
PA1020
Averbuch-Pouchot, M.-T.
Structures of glycinium phosphite and glycylglycinium phosphite
Acta Crystallographica Section C
1,993
49
4
815
818
10.1107/S0108270192010771
0.5608
AgKα
null
0.027
null
null
0.027
null
null
null
null
0.317
0.317
null
null
null
has coordinates
Averbuch-Pouchot, M.-T. Structures of glycinium phosphite and glycylglycinium phosphite Acta Crystallographica Section C 49(4) (1993) 815-818
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001823.cif $ #-------------------------------------------------------------------...
2,001,824
10.003
0.004
4.924
0.001
9.343
0.002
90
null
90.88
0.02
90
null
460.1
0.2
295
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C4 H11 N2 O6 P -
- C4 H11 N2 O6 P -
- C8 H22 N4 O12 P2 -
2
1
PA1020
Averbuch-Pouchot, M.-T.
Structures of glycinium phosphite and glycylglycinium phosphite
Acta Crystallographica Section C
1,993
49
4
815
818
10.1107/S0108270192010771
0.5608
AgKα
null
0.028
null
null
0.03
null
null
null
null
0.231
0.231
null
null
null
has coordinates
Averbuch-Pouchot, M.-T. Structures of glycinium phosphite and glycylglycinium phosphite Acta Crystallographica Section C 49(4) (1993) 815-818
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001824.cif $ #-------------------------------------------------------------------...
2,001,825
12.01
0.003
6.681
0.005
42.09
0.008
90
null
90
null
90
null
3,377
3
293
2
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C31 H42 O9 S2 -
- C31 H42 O9 S2 -
- C124 H168 O36 S8 -
4
1
PA1024
Hamzaoui, F.; Lamiot, J.; Baert, F.
X-ray structure of a new pyrethroid, RU 52259
Acta Crystallographica Section C
1,993
49
4
818
820
10.1107/S010827019201134X
1.5419
CuKα
null
0.062
null
null
0.062
null
null
null
null
7.4
7.4
null
null
null
has coordinates
Hamzaoui, F.; Lamiot, J.; Baert, F. X-ray structure of a new pyrethroid, RU 52259 Acta Crystallographica Section C 49(4) (1993) 818-820
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001825.cif $ #-------------------------------------------------------------------...
2,001,826
7.7305
0.0007
16.723
0.0015
26.668
0.003
90
null
90
null
90
null
3,447.6
0.6
293
null
293
null
null
null
null
null
3
P c a b
-P 2bc 2ac
61
Tribenzylmethanol
Tribenzylmethanol
- C22 H22 O -
- C22 H24 O -
- C176 H192 O8 -
8
1
LI1032
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Liles, D. C.; Zakaria, C. M.
Structures of tribenzylmethanol and 1,2,3-triphenyl-2-propanol
Acta Crystallographica Section C
1,993
49
4
820
824
10.1107/S0108270192011545
0.7093
MolybdenumKα
0.106
0.032
null
0.044
0.036
null
null
null
null
1.19
1.19
null
null
null
has coordinates
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Liles, D. C.; Zakaria, C. M. Structures of tribenzylmethanol and 1,2,3-triphenyl-2-propanol Acta Crystallographica Section C 49(4) (1993) 820-824
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001826.cif $ #-------------------------------------------------------------------...
2,001,827
23.0194
0.0012
6.0483
0.0005
23.7136
0.0012
90
null
98.012
0.004
90
null
3,269.4
0.4
293
null
293
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
Dibenzylphenylmethanol
1,2,3-Triphenyl-2-propanol
- C21 H20 O -
- C21 H20.5 O -
- C168 H164 O8 -
8
2
LI1032
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Liles, D. C.; Zakaria, C. M.
Structures of tribenzylmethanol and 1,2,3-triphenyl-2-propanol
Acta Crystallographica Section C
1,993
49
4
820
824
10.1107/S0108270192011545
0.7093
MolybdenumKα
0.129
0.05
null
0.063
0.052
null
null
null
null
1.28
1.28
null
null
null
has coordinates
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Liles, D. C.; Zakaria, C. M. Structures of tribenzylmethanol and 1,2,3-triphenyl-2-propanol Acta Crystallographica Section C 49(4) (1993) 820-824
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001827.cif $ #-------------------------------------------------------------------...
2,001,828
6.23
null
10.701
null
15.55
null
90
null
90
null
90
null
1,036.68
null
293
1
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C11 H12 N2 O2 -
- C11 H12 N2 O2 -
- C44 H48 N8 O8 -
4
1
PA1028
Coquerel, G.; Petit, M. N.; Robert, F.
Structure of (+)-(<i>S</i>)-5-phenyl-5-ethylhydantoin
Acta Crystallographica Section C
1,993
49
4
824
825
10.1107/S0108270192011788
0.71069
MoKα
null
0.037
null
null
0.039
null
null
null
null
2.36
2.36
null
null
null
has coordinates
Coquerel, G.; Petit, M. N.; Robert, F. Structure of (+)-(<i>S</i>)-5-phenyl-5-ethylhydantoin Acta Crystallographica Section C 49(4) (1993) 824-825
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001828.cif $ #-------------------------------------------------------------------...
2,001,829
7.799
0.001
9.872
0.001
11.77
0.001
109.638
0.004
100.339
0.006
97.756
0.006
820.77
0.16
130
null
130
null
null
null
null
null
4
P -1
-P 1
2
rac-1-methyl-3-nitro-{(1R,6S,8S)-6-phenyl-5,8-(tetramethylene)tricyclo [3.2.1.0^2.7^]oct-3-eno}[4,3-b]pyrrole
- C21 H22 N2 O2 -
- C21 H22 N2 O2 -
- C42 H44 N4 O4 -
2
1
AB1037
Meetsma, A.; ten Have, R.; Leusink, F. R.; van Leusen, A. M.
Structure of a tricyclo[3.2.1.0^2,7^]octene derivative: a double bridged central ring in an octahydrobenz[<i>g</i>]-3-nitroindole
Acta Crystallographica Section C
1,993
49
4
826
828
10.1107/S0108270192011156
0.71073
MoKα
0.051
0.048
null
0.059
0.058
null
null
null
0.725
0.751
0.751
null
null
null
has coordinates
Meetsma, A.; ten Have, R.; Leusink, F. R.; van Leusen, A. M. Structure of a tricyclo[3.2.1.0^2,7^]octene derivative: a double bridged central ring in an octahydrobenz[<i>g</i>]-3-nitroindole Acta Crystallographica Section C 49(4) (1993) 826-828
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001829.cif $ #-------------------------------------------------------------------...
2,001,830
5.648
0.002
26.369
0.008
11.868
0.004
90
null
90.19
0.02
90
null
1,767.5
1
293
null
293
null
null
null
null
null
4
P 1 21 1
P 2yb
4
(2S,3R)-2-amino-3-hydroxyl-3-(1,2:3,4-di-o-isopropylidène- α-D-galactopyranos-5-yl) propanoate de méthyle
- C15 H25 N O8 -
- C15 H25 N O8 -
- C60 H100 N4 O32 -
4
2
PA1031
Chiaroni, A.; Riche, C.; El Hadrami, E. M.; Lavergne, J.-P.; Viallefont, P.
Structure du (2<i>S</i>,6'<i>R</i>)-2-amino-2-(1,2:3,4-di-<i>O</i>-isopropylidène-α-<small>D</small>-galactopyranos-6-yl)acétate de méthyle
Acta Crystallographica Section C
1,993
49
4
828
830
10.1107/S0108270192011399
1.5418
CuKα
null
0.038
null
null
0.051
null
null
null
null
0.98
0.98
null
null
null
has coordinates
Chiaroni, A.; Riche, C.; El Hadrami, E. M.; Lavergne, J.-P.; Viallefont, P. Structure du (2<i>S</i>,6'<i>R</i>)-2-amino-2-(1,2:3,4-di-<i>O</i>-isopropylidène-α-<small>D</small>-galactopyranos-6-yl)acétate de méthyle Acta Crystallographica Section C 49(4) (1993) 828-830
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001830.cif $ #-------------------------------------------------------------------...
2,001,831
11.213
0.002
22.656
0.004
13.397
0.003
90
null
110.7
0.01
90
null
3,183.7
1.1
289
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C38 H36 Si3 -
- C38 H36 Si3 -
- C152 H144 Si12 -
4
1
NA1013
Van Meervelt, L.
Structure of 1,3-bis(1-pyrenyl)hexamethyltrisilane
Acta Crystallographica Section C
1,993
49
4
831
833
10.1107/S0108270192010606
1.54178
CuKα
null
0.0424
null
null
0.0451
null
null
null
null
1.23
1.23
null
null
null
has coordinates
Van Meervelt, L. Structure of 1,3-bis(1-pyrenyl)hexamethyltrisilane Acta Crystallographica Section C 49(4) (1993) 831-833
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001831.cif $ #-------------------------------------------------------------------...
2,001,832
27.729
0.005
5.0311
0.0007
6.105
0.001
90
null
99.57
0.02
90
null
839.8
0.2
295
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
null
- C9 H7 N O4 -
- C9 H7 N O4 -
- C36 H28 N4 O16 -
4
1
OH1006
Kageyama, Y.; Iwamoto, T.; Haisa, M.; Kashino, S.
Structure of the photostable form of <i>p</i>-nitrocinnamic acid
Acta Crystallographica Section C
1,993
49
4
833
834
10.1107/S0108270192010886
1.54178
CuKα
null
0.045
null
null
0.055
null
null
null
null
2.91
2.91
null
null
null
has coordinates
Kageyama, Y.; Iwamoto, T.; Haisa, M.; Kashino, S. Structure of the photostable form of <i>p</i>-nitrocinnamic acid Acta Crystallographica Section C 49(4) (1993) 833-834
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001832.cif $ #-------------------------------------------------------------------...
2,001,833
16.861
0.007
11.539
0.003
11.146
0.005
90
null
125.08
0.03
90
null
1,774.6
1.3
293
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
null
- C5 H8 N3 O5 P -
- C5 H8 N3 O5 P -
- C40 H64 N24 O40 P8 -
8
1
PA1015
Pecaut, J.; Bagieu-Beucher, M.
2-Amino-5-nitropyridinium monohydrogenphosphite
Acta Crystallographica Section C
1,993
49
4
834
837
10.1107/S0108270192011302
0.71073
MoKα
null
0.04
null
null
0.042
null
null
null
null
0.489
0.489
null
null
null
has coordinates
Pecaut, J.; Bagieu-Beucher, M. 2-Amino-5-nitropyridinium monohydrogenphosphite Acta Crystallographica Section C 49(4) (1993) 834-837
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001833.cif $ #-------------------------------------------------------------------...
2,001,834
9.848
0.003
10.636
0.003
23.216
0.004
90
null
93.11
0.02
90
null
2,428.1
1.1
293
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C26 H23 N7 O6 -
- C26 H23 N7 O6 -
- C104 H92 N28 O24 -
4
1
MU1035
Adam, D.; McCabe, P. H.; Sim, G. A.; Bouchemma, A.
A twist-boat 1,3,5-triaryl-1,3,5-triazacyclohexane: X-ray analysis of the inclusion compound formed between 1,3,5-tris(<i>p</i>-nitrophenyl)-1,3,5-triazacyclohexane and pyridine
Acta Crystallographica Section C
1,993
49
4
837
841
10.1107/S0108270192012216
0.71069
MoKα
null
0.039
null
null
0.05
null
null
null
null
2.42
2.42
null
null
null
has coordinates
Adam, D.; McCabe, P. H.; Sim, G. A.; Bouchemma, A. A twist-boat 1,3,5-triaryl-1,3,5-triazacyclohexane: X-ray analysis of the inclusion compound formed between 1,3,5-tris(<i>p</i>-nitrophenyl)-1,3,5-triazacyclohexane and pyridine Acta Crystallographica Section C 49(4) (1993) 837-841
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001834.cif $ #-------------------------------------------------------------------...
2,001,835
8.35
0.002
8.769
0.003
10.1473
0.0006
103.11
0.01
94.98
0.02
96.45
0.03
714.2
0.3
294
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C16 H13 I N2 O -
- C16 H13 I N2 O -
- C32 H26 I2 N4 O2 -
2
1
PA1025
Rodier, N.; Agafonov, V.; Cense, J. M.; Galinier, E.; Ombetta, J. E.; Frangin, Y.; Guilloteau, D.
5-(3-Iodophényl)-2,3-dihydro-5-hydroxy-5<i>H</i>-imidazo[2,1-<i>a</i>]isoindole
Acta Crystallographica Section C
1,993
49
4
841
843
10.1107/S0108270192010540
1.5418
CuKα
null
0.047
null
null
0.065
null
null
null
null
1.07
1.07
null
null
null
has coordinates
Rodier, N.; Agafonov, V.; Cense, J. M.; Galinier, E.; Ombetta, J. E.; Frangin, Y.; Guilloteau, D. 5-(3-Iodophényl)-2,3-dihydro-5-hydroxy-5<i>H</i>-imidazo[2,1-<i>a</i>]isoindole Acta Crystallographica Section C 49(4) (1993) 841-843
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001835.cif $ #-------------------------------------------------------------------...
2,001,836
10.633
0.004
11.648
0.006
17.236
0.007
76.3
0.03
83.16
0.03
64.95
0.03
1,878.5
1.5
294
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C24 H19 N O2 -
- C24 H19 N O2 -
- C96 H76 N4 O8 -
4
2
PA1018
Toupet, L.; Chekti, R.; Soufiaoui, M.; Carrie, R.
Etude de la regio et de la stéréospecificité de l'addition du phénylnitriloxyde au 3-methyl-2-benzylidene indan-1-one. Structure de l'adduit obtenu
Acta Crystallographica Section C
1,993
49
4
844
846
10.1107/S0108270192011387
0.70926
MoKα
null
0.047
null
null
0.047
null
null
null
null
1.3
1.3
null
null
null
has coordinates
Toupet, L.; Chekti, R.; Soufiaoui, M.; Carrie, R. Etude de la regio et de la stéréospecificité de l'addition du phénylnitriloxyde au 3-methyl-2-benzylidene indan-1-one. Structure de l'adduit obtenu Acta Crystallographica Section C 49(4) (1993) 844-846
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001836.cif $ #-------------------------------------------------------------------...
2,001,837
11.865
0.001
13.8
0.001
10.568
0.001
90
null
104.25
0.01
90
null
1,677.1
0.3
294
null
294
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
Dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12- dicarboxylate
- C20 H15 Cl O4 -
- C20 Cl O4 -
- C80 Cl4 O16 -
4
1
BR1019
Trotter, J.; Yee, V. C.
Structure of dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Acta Crystallographica Section C
1,993
49
4
846
848
10.1107/S0108270192011880
1.54056
CopperKα
0.078
0.046
null
0.058
0.058
null
null
null
null
2.2
2.2
null
null
null
has coordinates
Trotter, J.; Yee, V. C. Structure of dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section C 49(4) (1993) 846-848
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001837.cif $ #-------------------------------------------------------------------...
2,001,838
8.233
0.005
6.34
0.02
6.241
0.005
102.6
0.1
103.89
0.07
96.7
0.1
303.7
1
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- Al As2 O7 Rb -
- Al As2 O7 Rb -
- Al2 As4 O14 Rb2 -
2
1
DU0330
Boughzala, H.; Driss, A.; Jouini, T.
Structure de RbAlAs~2~O~7~
Acta Crystallographica Section C
1,993
49
3
425
427
10.1107/S0108270192006772
0.5608
Ag
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boughzala, H.; Driss, A.; Jouini, T. Structure de RbAlAs~2~O~7~ Acta Crystallographica Section C 49(3) (1993) 425-427
208,360
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001838.cif $ #-------------------------------------------------------------------...
2,001,839
9.4543
0.0005
9.4543
0.0005
83.2
0.01
90
null
90
null
120
null
6,440.4
0.9
null
null
null
null
null
null
null
null
3
R -3 c
-R 3 2"c
null
- Cs4 Mo21 S25 -
- Cs4 Mo21 S25 -
- Cs24 Mo126 S150 -
6
null
DU1004
Gougeon, P.; Potel, M.
Cs~4~Mo~21~S~25~: a new structure type containing Mo~9~ and Mo~12~ condensed clusters
Acta Crystallographica Section C
1,993
49
3
427
430
10.1107/S0108270192006036
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gougeon, P.; Potel, M. Cs~4~Mo~21~S~25~: a new structure type containing Mo~9~ and Mo~12~ condensed clusters Acta Crystallographica Section C 49(3) (1993) 427-430
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001839.cif $ #-------------------------------------------------------------------...
2,001,840
6.09
0.001
6.09
0.001
22.759
0.005
90
null
90
null
120
null
731
0.2
null
null
null
null
null
null
null
null
4
R -3 m :H
-R 3 2"
166
- H13 N3 O8 Se2 -
- H13 N3 O8 Se2 -
- H39 N9 O24 Se6 -
3
0.083333
NA0025
Łukaszewicz, K.; Pietraszko, A.; Augustyniak, M. A.
Structure of (NH~4~)~3~H(SeO~4~)~2~ in high-temperature phases I and II
Acta Crystallographica Section C
1,993
49
3
430
433
10.1107/S010827019200739X
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Łukaszewicz, K.; Pietraszko, A.; Augustyniak, M. A. Structure of (NH~4~)~3~H(SeO~4~)~2~ in high-temperature phases I and II Acta Crystallographica Section C 49(3) (1993) 430-433
206,338
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-02-09 14:25:34 +0200 (Fri, 09 Feb 2018) $ #$Revision: 206338 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001840.cif $ #-------------------------------------------------------------------...
2,001,841
6.064
0.001
6.064
0.001
22.904
0.005
90
null
90
null
120
null
729.4
0.2
null
null
null
null
null
null
null
null
4
R -3 :H
-R 3
148
- H13 N3 O8 Se2 -
- H13 N3 O8 Se2 -
- H39 N9 O24 Se6 -
3
0.166667
NA0025
Łukaszewicz, K.; Pietraszko, A.; Augustyniak, M. A.
Structure of (NH~4~)~3~H(SeO~4~)~2~ in high-temperature phases I and II
Acta Crystallographica Section C
1,993
49
3
430
433
10.1107/S010827019200739X
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Łukaszewicz, K.; Pietraszko, A.; Augustyniak, M. A. Structure of (NH~4~)~3~H(SeO~4~)~2~ in high-temperature phases I and II Acta Crystallographica Section C 49(3) (1993) 430-433
206,338
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-02-09 14:25:34 +0200 (Fri, 09 Feb 2018) $ #$Revision: 206338 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001841.cif $ #-------------------------------------------------------------------...
2,001,842
3.8016
0.0004
3.8016
0.0004
6.7786
0.0008
90
null
90
null
90
null
97.965
0.019
null
null
null
null
null
null
null
null
2
I 4/m m m
-I 4 2
null
- Ba O2 -
- Ba O2 -
- Ba2 O4 -
2
0.0625
BR1011
VerNooy, P. D.
Redetermination of the structure of barium peroxide by single-crystal X-ray diffraction
Acta Crystallographica Section C
1,993
49
3
433
434
10.1107/S0108270192008692
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
VerNooy, P. D. Redetermination of the structure of barium peroxide by single-crystal X-ray diffraction Acta Crystallographica Section C 49(3) (1993) 433-434
303,130
2025-11-01
10:28:39
#------------------------------------------------------------------------------ #$Date: 2025-11-01 12:28:30 +0200 (Sat, 01 Nov 2025) $ #$Revision: 303130 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001842.cif $ #-------------------------------------------------------------------...
2,001,843
9.429
0.002
15.824
0.003
7.931
0.001
90
null
106.26
0.01
90
null
1,136
0.4
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- H24 Li2 N4 O22 P6 -
- H24 Li2 N4 O22 P6 -
- H48 Li4 N8 O44 P12 -
2
0.5
DU0331
Elmokhtar, O. S. M. M.; Rzaigui, M.; Jouini, A.
Structure of dilithium tetraammonium <i>cyclo</i>-hexaphosphate tetrahydrate
Acta Crystallographica Section C
1,993
49
3
435
437
10.1107/S0108270192008023
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Elmokhtar, O. S. M. M.; Rzaigui, M.; Jouini, A. Structure of dilithium tetraammonium <i>cyclo</i>-hexaphosphate tetrahydrate Acta Crystallographica Section C 49(3) (1993) 435-437
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001843.cif $ #-------------------------------------------------------------------...
2,001,844
16.142
0.003
12.222
0.003
11.047
0.003
90
null
94.41
0.02
90
null
2,173
0.9
null
null
null
null
null
null
null
null
6
C 1 2/c 1
null
- C13 H23 Cl2 Mn N3 O12 -
- C13 H23 Cl2 Mn N3 O18 -
- C52 H92 Cl8 Mn4 N12 O72 -
4
0.5
MU0301
Brooker, S.; McKee, V.
Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine
Acta Crystallographica Section C
1,993
49
3
441
445
10.1107/S0108270192007157
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brooker, S.; McKee, V. Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine Acta Crystallographica Section C 49(3) (1993) 441-445
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001844.cif $ #-------------------------------------------------------------------...
2,001,845
9.902
0.002
12.581
0.002
15.203
0.003
90
null
101.46
0.02
90
null
1,856.2
0.6
null
null
null
null
null
null
null
null
6
I 1 2/a 1
null
- C15 H19 Mn N5 O2 S2 -
- C15 H19 Mn N5 O2 S2 -
- C60 H76 Mn4 N20 O8 S8 -
4
0.5
MU0301
Brooker, S.; McKee, V.
Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine
Acta Crystallographica Section C
1,993
49
3
441
445
10.1107/S0108270192007157
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brooker, S.; McKee, V. Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine Acta Crystallographica Section C 49(3) (1993) 441-445
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001845.cif $ #-------------------------------------------------------------------...
2,001,846
18.643
0.007
12.616
0.003
7.127
0.003
90
null
90
null
90
null
1,676.3
1
null
null
null
null
null
null
null
null
5
P b c n
null
- C13 H19 Mn N9 O2 -
- C13 H19 Mn N9 O2 -
- C52 H76 Mn4 N36 O8 -
4
0.5
MU0301
Brooker, S.; McKee, V.
Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine
Acta Crystallographica Section C
1,993
49
3
441
445
10.1107/S0108270192007157
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brooker, S.; McKee, V. Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine Acta Crystallographica Section C 49(3) (1993) 441-445
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001846.cif $ #-------------------------------------------------------------------...
2,001,847
16.965
0.009
18.847
0.008
12.108
0.007
97.41
0.06
95.29
0.06
117.83
0.03
3,343
3
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C59 H95 B N6 Ni3 O11 -
- C59 H95 B N6 Ni3 O11 -
- C118 H190 B2 N12 Ni6 O22 -
2
1
AS1009
Yamada, K.; Hori, K.; Fukuda, Y.
Structure of μ-carbonato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^1^,<i>O</i>^3^-bis[(acetylacetonato)(<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetramethylethylenediamine)nickel(II)] (acetylacetonato)aqua(methanol)(<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetramethylethylenediamine)nickel(II) tetraphenylborate
Acta Crystallographica Section C
1,993
49
3
445
448
10.1107/S0108270192007091
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yamada, K.; Hori, K.; Fukuda, Y. Structure of μ-carbonato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^1^,<i>O</i>^3^-bis[(acetylacetonato)(<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetramethylethylenediamine)nickel(II)] (acetylacetonato)aqua(methanol)(<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetramethylethylenediamine)nickel(I...
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001847.cif $ #-------------------------------------------------------------------...
2,001,848
16.821
0.005
16.277
0.005
12.131
0.005
90
null
90.41
0.03
90
null
3,321
2
null
null
null
null
null
null
null
null
8
P 1 21/c 1
-P 2ybc
null
- C20 H48 B8 Cl Hf Li O2 Si2 -
- C20 H48 B8 Cl Hf Li O2 Si2 -
- C80 H192 B32 Cl4 Hf4 Li4 O8 Si8 -
4
1
CR1005
Zhang, H.; Jia, L.; Hosmane, N. S.
The first zwitterionic and bent-sandwiched hafnacarborane 4',5,5',6-Li(THF)-1,1'-<i>commo</i>-Hf(THF)Cl[2-(SiMe~3~)-3-(Me)-2,3-C~2~B~4~H~4~]~2~
Acta Crystallographica Section C
1,993
49
3
453
456
10.1107/S0108270192008138
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zhang, H.; Jia, L.; Hosmane, N. S. The first zwitterionic and bent-sandwiched hafnacarborane 4',5,5',6-Li(THF)-1,1'-<i>commo</i>-Hf(THF)Cl[2-(SiMe~3~)-3-(Me)-2,3-C~2~B~4~H~4~]~2~ Acta Crystallographica Section C 49(3) (1993) 453-456
194,546
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-03-27 16:38:39 +0300 (Mon, 27 Mar 2017) $ #$Revision: 194546 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001848.cif $ #-------------------------------------------------------------------...
2,001,849
23.284
0.01
20.923
0.007
21.822
0.008
90
null
93.1
0.03
90
null
10,615
7
null
null
null
null
null
null
null
null
5
C 2/n 1 1
-C 2yac
null
- C48 H83 B P4 Pt2 -
- C48 B P4 Pt6 -
- C384 B8 P32 Pt48 -
8
1
NA1006
Bachechi, F.
Structure of the dinuclear platinum monohydrido bridged complex [(PEt~3~)~2~HPt(μ-H)PtH(PEt~3~)~2~][BPh~4~]
Acta Crystallographica Section C
1,993
49
3
460
464
10.1107/S0108270192007674
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bachechi, F. Structure of the dinuclear platinum monohydrido bridged complex [(PEt~3~)~2~HPt(μ-H)PtH(PEt~3~)~2~][BPh~4~] Acta Crystallographica Section C 49(3) (1993) 460-464
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001849.cif $ #-------------------------------------------------------------------...
2,001,850
10.287
0.002
14.033
0.004
21.241
0.004
90
null
99.24
0.02
90
null
3,026.5
1.2
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C36 H88 Mo8 N4 O26 -
- C36 H88 Mo8 N4 O26 -
- C72 H176 Mo16 N8 O52 -
2
0.5
CR0415
Wang, Q.; Xu, X.; Wang, X.
Structure of bis(dimethylammonium) bis(tetrabutylammonium) β-octamolybdate
Acta Crystallographica Section C
1,993
49
3
464
467
10.1107/S0108270192007868
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wang, Q.; Xu, X.; Wang, X. Structure of bis(dimethylammonium) bis(tetrabutylammonium) β-octamolybdate Acta Crystallographica Section C 49(3) (1993) 464-467
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001850.cif $ #-------------------------------------------------------------------...
2,001,851
7.301
0.004
8.216
0.004
10.709
0.005
91.407
0.001
98.247
0.001
114.242
0.003
577.2
0.5
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C20 H26 Cu2 N2 O10 -
- C20 H24 Cu2 N2 O10 -
- C20 H24 Cu2 N2 O10 -
1
0.5
AL0509
Hoang, N. N.; Valach, F.; Melník, M.
Structure of tetrakis(μ-acetato)-bis(4-pyridylmethanol)dicopper(II)
Acta Crystallographica Section C
1,993
49
3
467
469
10.1107/S010827019200386X
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hoang, N. N.; Valach, F.; Melník, M. Structure of tetrakis(μ-acetato)-bis(4-pyridylmethanol)dicopper(II) Acta Crystallographica Section C 49(3) (1993) 467-469
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001851.cif $ #-------------------------------------------------------------------...
2,001,852
18.392
0.003
12.723
0.003
22.183
0.003
90
null
107.86
0.02
90
null
4,940.7
1.7
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C24 H66 Si6 Sn3 Te3 -
- C24 H66 Si6 Sn3 Te3 -
- C96 H264 Si24 Sn12 Te12 -
4
1
CD1004
Einstein, F. W. B.; Gay, I. D.; Jones, C. H. W.; Riesen, A.; Sharma, R. D.
Structure and solid-state tin-119 and tellurium-125 NMR spectra of 2,2,4,4,6,6-hexakis(trimethylsilylmethyl)cyclotristannatellurane
Acta Crystallographica Section C
1,993
49
3
470
472
10.1107/S0108270192008400
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Einstein, F. W. B.; Gay, I. D.; Jones, C. H. W.; Riesen, A.; Sharma, R. D. Structure and solid-state tin-119 and tellurium-125 NMR spectra of 2,2,4,4,6,6-hexakis(trimethylsilylmethyl)cyclotristannatellurane Acta Crystallographica Section C 49(3) (1993) 470-472
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001852.cif $ #-------------------------------------------------------------------...
2,001,853
9.927
0.001
20.086
0.005
17.5
0.005
90
null
96.72
0.01
90
null
3,465.4
1.4
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C36 H30 Au F6 P3 -
- C36 H30 Au F10 P3 -
- C144 H120 Au4 F40 P12 -
4
1
BR1000
Staples, R. J.; King, C.; Khan, M. N. I.; Winpenny, R. E. P.; Fackler, Jnr, J. P.
Structures of bis(triphenylphosphine)gold(I) hexafluorophosphate, [Au(PPh~3~)~2~]PF~6~ (1), and bis(triphenylphosphine)gold(I) nitrate, [Au(PPh~3~)~2~]NO~3~ (2)
Acta Crystallographica Section C
1,993
49
3
472
475
10.1107/S0108270192008680
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Staples, R. J.; King, C.; Khan, M. N. I.; Winpenny, R. E. P.; Fackler, Jnr, J. P. Structures of bis(triphenylphosphine)gold(I) hexafluorophosphate, [Au(PPh~3~)~2~]PF~6~ (1), and bis(triphenylphosphine)gold(I) nitrate, [Au(PPh~3~)~2~]NO~3~ (2) Acta Crystallographica Section C 49(3) (1993) 472-475
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001853.cif $ #-------------------------------------------------------------------...
2,001,854
17.502
0.005
11.02
0.001
18.012
0.003
90
null
112.4
0.02
90
null
3,211.9
1.2
null
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C36 H30 Au N O3 P2 -
- C36 H30 Au2 N2 O4 P2 -
- C144 H120 Au8 N8 O16 P8 -
4
1
BR1000
Staples, R. J.; King, C.; Khan, M. N. I.; Winpenny, R. E. P.; Fackler, Jnr, J. P.
Structures of bis(triphenylphosphine)gold(I) hexafluorophosphate, [Au(PPh~3~)~2~]PF~6~ (1), and bis(triphenylphosphine)gold(I) nitrate, [Au(PPh~3~)~2~]NO~3~ (2)
Acta Crystallographica Section C
1,993
49
3
472
475
10.1107/S0108270192008680
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Staples, R. J.; King, C.; Khan, M. N. I.; Winpenny, R. E. P.; Fackler, Jnr, J. P. Structures of bis(triphenylphosphine)gold(I) hexafluorophosphate, [Au(PPh~3~)~2~]PF~6~ (1), and bis(triphenylphosphine)gold(I) nitrate, [Au(PPh~3~)~2~]NO~3~ (2) Acta Crystallographica Section C 49(3) (1993) 472-475
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001854.cif $ #-------------------------------------------------------------------...
2,001,855
11.674
0.001
11.74
0.003
10.863
0.003
128.34
0.02
91.93
0.01
97.18
0.02
1,146.7
0.6
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C22 H26 N2 O7 Pd -
- C22 H26 N2 O7 Pd -
- C44 H52 N4 O14 Pd2 -
2
1
AS0558
Yoneda, A.; Newkome, G. R.; Morimoto, Y.; Higuchi, Y.; Yasuoka, N.
Structures of {diethyl 2-[(8-hydroxy-κ<i>O</i>-2-quinolyl-κ<i>N</i>)methyl]malonato(2–)-κ<i>C</i>^2^}(pyridine)palladium(II) and the analogous ethyl complex
Acta Crystallographica Section C
1,993
49
3
476
478
10.1107/S0108270192010801
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yoneda, A.; Newkome, G. R.; Morimoto, Y.; Higuchi, Y.; Yasuoka, N. Structures of {diethyl 2-[(8-hydroxy-κ<i>O</i>-2-quinolyl-κ<i>N</i>)methyl]malonato(2–)-κ<i>C</i>^2^}(pyridine)palladium(II) and the analogous ethyl complex Acta Crystallographica Section C 49(3) (1993) 476-478
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001855.cif $ #-------------------------------------------------------------------...
2,001,856
19.349
0.002
7.544
0.002
14.826
0.002
90
null
94.11
0.01
90
null
2,158.6
0.7
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C23 H24 N2 O5 Pd -
- C23 H24 N2 O5 Pd -
- C92 H96 N8 O20 Pd4 -
4
1
AS0558
Yoneda, A.; Newkome, G. R.; Morimoto, Y.; Higuchi, Y.; Yasuoka, N.
Structures of {diethyl 2-[(8-hydroxy-κ<i>O</i>-2-quinolyl-κ<i>N</i>)methyl]malonato(2–)-κ<i>C</i>^2^}(pyridine)palladium(II) and the analogous ethyl complex
Acta Crystallographica Section C
1,993
49
3
476
478
10.1107/S0108270192010801
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yoneda, A.; Newkome, G. R.; Morimoto, Y.; Higuchi, Y.; Yasuoka, N. Structures of {diethyl 2-[(8-hydroxy-κ<i>O</i>-2-quinolyl-κ<i>N</i>)methyl]malonato(2–)-κ<i>C</i>^2^}(pyridine)palladium(II) and the analogous ethyl complex Acta Crystallographica Section C 49(3) (1993) 476-478
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001856.cif $ #-------------------------------------------------------------------...
2,001,857
8.897
0.003
8.213
0.002
15.334
0.004
90
null
102.69
0.03
90
null
1,093.1
0.6
null
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C21 H23 Br O7 S -
- C21 H23 Br O7 S -
- C42 H46 Br2 O14 S2 -
2
1
CR1012
Jedrzejas, M. J.; Baker, R. J.; Binkley, R. W.; Towns, R. L. R.; Adair, N.; Andras, M.; Anwari, F.; Chen, Z.; Huff, R.; Liu, X.; Martuch, R. A.; Skladany, M.
Structure of methyl 4-<i>O</i>-benzoyl-6-bromo-3-tosyl-2,6-dideoxy-β-<small>D</small>-<i>arabino</i>-hexopyranoside
Acta Crystallographica Section C
1,993
49
3
481
483
10.1107/S0108270192008291
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jedrzejas, M. J.; Baker, R. J.; Binkley, R. W.; Towns, R. L. R.; Adair, N.; Andras, M.; Anwari, F.; Chen, Z.; Huff, R.; Liu, X.; Martuch, R. A.; Skladany, M. Structure of methyl 4-<i>O</i>-benzoyl-6-bromo-3-tosyl-2,6-dideoxy-β-<small>D</small>-<i>arabino</i>-hexopyranoside Acta Crystallographica Section C 49(3) (1993) ...
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001857.cif $ #-------------------------------------------------------------------...
2,001,858
18.554
0.003
10.466
0.002
7.959
0.004
90
null
91.78
0.03
90
null
1,544.8
0.9
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C19 H17 Cl N2 O -
- C19 H17 Cl N2 O -
- C76 H68 Cl4 N8 O4 -
4
1
MU0287
Johnson, O.; Jones, D. W.
A chloride of a substituted heterocyclic analogue of chrysene: C~19~H~17~N~2~O^+^.Cl^{-^}
Acta Crystallographica Section C
1,993
49
3
483
486
10.1107/S010827019200711X
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Johnson, O.; Jones, D. W. A chloride of a substituted heterocyclic analogue of chrysene: C~19~H~17~N~2~O^+^.Cl^{-^} Acta Crystallographica Section C 49(3) (1993) 483-486
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001858.cif $ #-------------------------------------------------------------------...
2,001,859
31.201
0.012
13.789
0.006
11.62
0.005
90
null
90
null
90
null
4,999
4
null
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
null
- C48 H74 N2 O9 Si2 -
- C48 H74 N2 O9 Si2 -
- C192 H296 N8 O36 Si8 -
4
1
PA1002
Ginderow, D.; Teutsch, G.; Mornon, J.-P.
Structure du 11,11'-bi[3-éthylènedioxy-17β-cyano-5-hydroxy-17α-triméthylsiloxy-19-nor-5α-androst-9(10)-ène] monohydrate
Acta Crystallographica Section C
1,993
49
3
486
489
10.1107/S0108270192006796
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ginderow, D.; Teutsch, G.; Mornon, J.-P. Structure du 11,11'-bi[3-éthylènedioxy-17β-cyano-5-hydroxy-17α-triméthylsiloxy-19-nor-5α-androst-9(10)-ène] monohydrate Acta Crystallographica Section C 49(3) (1993) 486-489
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001859.cif $ #-------------------------------------------------------------------...
2,001,860
21.493
0.007
11.721
0.004
8.345
0.001
90
null
90
null
90
null
2,102.3
1
null
null
null
null
null
null
null
null
6
P b c a
-P 2ac 2ab
null
- C18 H22 N4 O2 P2 S2 -
- C18 H22 N4 O2 P2 S2 -
- C72 H88 N16 O8 P8 S8 -
4
0.5
SE1011
Engelhardt, U.; Stromburg, B.
2,8-Diphenoxy-2,8-dithioxo-1,3,7,9-tetraaza-2λ^5^,8λ^5^-diphosphatricyclo[7.3.0.0^3,7^]dodekan
Acta Crystallographica Section C
1,993
49
3
489
491
10.1107/S0108270192008679
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Engelhardt, U.; Stromburg, B. 2,8-Diphenoxy-2,8-dithioxo-1,3,7,9-tetraaza-2λ^5^,8λ^5^-diphosphatricyclo[7.3.0.0^3,7^]dodekan Acta Crystallographica Section C 49(3) (1993) 489-491
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001860.cif $ #-------------------------------------------------------------------...
2,001,861
8.106
0.003
18.786
0.004
7.076
0.003
90
null
90
null
90
null
1,077.5
0.6
null
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
null
- C7 H14 B Cl F4 N2 -
- C7 H14 B Cl F4 N2 -
- C28 H56 B4 Cl4 F16 N8 -
4
1
AL1015
Banks, R. E.; Sharif, I.; Pritchard, R. G.
Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues
Acta Crystallographica Section C
1,993
49
3
492
495
10.1107/S0108270192008588
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Banks, R. E.; Sharif, I.; Pritchard, R. G. Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues Acta Crystallographica Section C 49(3) (1993) 492-495
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001861.cif $ #-------------------------------------------------------------------...
2,001,862
19.877
0.007
8.769
0.003
7.138
0.002
90
null
90
null
90
null
1,244.2
0.7
null
null
null
null
null
null
null
null
7
P n m a
-P 2ac 2n
62
- C8 H14 Cl F3 N2 O3 S -
- C8 H20 Cl F3 N2 O3 S -
- C32 H80 Cl4 F12 N8 O12 S4 -
4
0.5
AL1015
Banks, R. E.; Sharif, I.; Pritchard, R. G.
Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues
Acta Crystallographica Section C
1,993
49
3
492
495
10.1107/S0108270192008588
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Banks, R. E.; Sharif, I.; Pritchard, R. G. Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues Acta Crystallographica Section C 49(3) (1993) 492-495
278,244
2022-09-28
13:56:22
#------------------------------------------------------------------------------ #$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278244 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001862.cif $ #-------------------------------------------------------------------...
2,001,863
12.599
0.006
7.653
0.003
14.094
0.007
90
null
90
null
90
null
1,358.9
1.1
null
null
null
null
null
null
null
null
6
P n m a
-P 2ac 2n
62
- C7 H14 B2 Cl F9 N2 -
- C7 H20 B8 Cl F33 N2 -
- C28 H80 B32 Cl4 F132 N8 -
4
0.5
AL1015
Banks, R. E.; Sharif, I.; Pritchard, R. G.
Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues
Acta Crystallographica Section C
1,993
49
3
492
495
10.1107/S0108270192008588
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Banks, R. E.; Sharif, I.; Pritchard, R. G. Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues Acta Crystallographica Section C 49(3) (1993) 492-495
278,244
2022-09-28
13:56:22
#------------------------------------------------------------------------------ #$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278244 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001863.cif $ #-------------------------------------------------------------------...
2,001,864
7.181
0.001
13.919
0.001
14.547
0.001
90
null
90
null
90
null
1,454
0.2
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C12 H20 N4 O5 -
- C12 H20 N4 O5 -
- C48 H80 N16 O20 -
4
1
AL1013
Campbell, J. A.; Freer, A. A.; Robins, D. J.
Structure of <i>N</i>-acetyl-<small>L</small>-homocarnosine monohydrate
Acta Crystallographica Section C
1,993
49
3
495
497
10.1107/S0108270192009119
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Campbell, J. A.; Freer, A. A.; Robins, D. J. Structure of <i>N</i>-acetyl-<small>L</small>-homocarnosine monohydrate Acta Crystallographica Section C 49(3) (1993) 495-497
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001864.cif $ #-------------------------------------------------------------------...
2,001,865
7.57
0.001
9.4313
0.0007
12.485
0.001
90
null
102.21
0.01
90
null
871.2
0.15
null
null
null
null
null
null
null
null
3
P 1 21 1
null
- C21 H28 N2 -
- C21 H28 N2 -
- C42 H56 N4 -
2
1
HU0408
Katrusiak, A.
Structure of 2-phenyl-2-dehydrosparteine
Acta Crystallographica Section C
1,993
49
3
497
500
10.1107/S0108270192009338
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Katrusiak, A. Structure of 2-phenyl-2-dehydrosparteine Acta Crystallographica Section C 49(3) (1993) 497-500
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001865.cif $ #-------------------------------------------------------------------...
2,001,866
22.833
0.006
9.37
0.003
11.434
0.004
90
null
110.71
0.08
90
null
2,288.2
1.7
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
- C27 H33 N O3 -
- C27 H33 N O3 -
- C108 H132 N4 O12 -
4
1
GR0209
Hossain, M. B.; Symersky, J.; Neely, S. C.; van der Helm, D.; Magarian, R. A.
Structure of 1-{4-[2-(diethylamino)ethoxy]phenyl}-2-(4-methoxyphenyl)-1-phenylethan-1-ol, the non-steroidal antiestrogen MER25
Acta Crystallographica Section C
1,993
49
3
500
504
10.1107/S0108270192007893
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hossain, M. B.; Symersky, J.; Neely, S. C.; van der Helm, D.; Magarian, R. A. Structure of 1-{4-[2-(diethylamino)ethoxy]phenyl}-2-(4-methoxyphenyl)-1-phenylethan-1-ol, the non-steroidal antiestrogen MER25 Acta Crystallographica Section C 49(3) (1993) 500-504
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001866.cif $ #-------------------------------------------------------------------...
2,001,867
7.542
0.002
7.542
0.002
33.266
0.002
90
null
90
null
90
null
1,892.2
0.7
null
null
null
null
null
null
null
null
4
P 43
P 43
null
- C21 H21 N O6 -
- C21 H21 N O6 -
- C84 H84 N4 O24 -
4
1
HH0508
Rajnikant; Goswami, K. N.; Yadava, V. S.; Padmanabhan, V. M.; Banerjee, S. K.
Structure of (–)-β-hydrastine
Acta Crystallographica Section C
1,993
49
3
504
506
10.1107/S0108270192006620
1.5405
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rajnikant; Goswami, K. N.; Yadava, V. S.; Padmanabhan, V. M.; Banerjee, S. K. Structure of (–)-β-hydrastine Acta Crystallographica Section C 49(3) (1993) 504-506
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001867.cif $ #-------------------------------------------------------------------...
2,001,868
25.62
0.03
4.964
0.002
14.9
0.014
90
null
107.15
0.04
90
null
1,811
3
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
null
- C7 H7 Cl N2 O3 -
- C7 H7 Cl N2 O3 -
- C56 H56 Cl8 N16 O24 -
8
1
GR1003
Horan, C. J.; Barnes, C. L.; Glaser, R.
2-Carboxybenzenediazonium chloride monohydrate
Acta Crystallographica Section C
1,993
49
3
507
509
10.1107/S0108270192009673
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Horan, C. J.; Barnes, C. L.; Glaser, R. 2-Carboxybenzenediazonium chloride monohydrate Acta Crystallographica Section C 49(3) (1993) 507-509
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001868.cif $ #-------------------------------------------------------------------...
2,001,869
13.215
0.003
9.321
0.001
15.6
0.004
90
null
105.68
0.02
90
null
1,850.1
0.7
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C23 H22 N2 O2 -
- C23 H22 N2 O2 -
- C92 H88 N8 O8 -
4
1
HA1012
Hu, A. T.; Wang, M.-S.; Wang, S.-L.
Structure of an organic photochromic compound. 6,7,8a,9-Tetrahydro-17,17-dimethylnaphtho[1'',2'':5',6'][1,4]oxazino[3',2':2,3][1,4]oxazino[4,3-<i>a</i>][3<i>H</i>]indole
Acta Crystallographica Section C
1,993
49
3
509
511
10.1107/S0108270192008187
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hu, A. T.; Wang, M.-S.; Wang, S.-L. Structure of an organic photochromic compound. 6,7,8a,9-Tetrahydro-17,17-dimethylnaphtho[1'',2'':5',6'][1,4]oxazino[3',2':2,3][1,4]oxazino[4,3-<i>a</i>][3<i>H</i>]indole Acta Crystallographica Section C 49(3) (1993) 509-511
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001869.cif $ #-------------------------------------------------------------------...
2,001,870
7.135
0.003
17.639
0.004
21.454
0.007
90
null
90
null
90
null
2,700.1
1.6
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C31 H50 O2 -
- C31 H50 O2 -
- C124 H200 O8 -
4
1
CD1003
Tinto, W. F.; Blair, L. C.; Lough, A. J.; McLean, S.; Reynolds, W. F.
Determination of the stereochemistry of oxandran-3-one; a novel methyltriterpene from <i>Oxandra asbeckii</i> (Annonaceae)
Acta Crystallographica Section C
1,993
49
3
511
514
10.1107/S010827019200800X
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tinto, W. F.; Blair, L. C.; Lough, A. J.; McLean, S.; Reynolds, W. F. Determination of the stereochemistry of oxandran-3-one; a novel methyltriterpene from <i>Oxandra asbeckii</i> (Annonaceae) Acta Crystallographica Section C 49(3) (1993) 511-514
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001870.cif $ #-------------------------------------------------------------------...
2,001,871
7.8478
0.0004
20.0952
0.0009
13.3666
0.0003
90
null
95.68
0.002
90
null
2,097.6
0.15
null
null
null
null
null
null
null
null
3
P 1 21/a 1
-P 2yab
14
- C22 H28 O8 -
- C22 H28 O8 -
- C88 H112 O32 -
4
1
DU0312
Drouin, M.; Michel-Dewez, N.; Michel, A. G.
Functionalized hydrocarbons with condensed ring skeletons. XI. Tetramethyl tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate and its corresponding tetradec-8-ene
Acta Crystallographica Section C
1,993
49
3
514
517
10.1107/S0108270192008151
1.54056
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Drouin, M.; Michel-Dewez, N.; Michel, A. G. Functionalized hydrocarbons with condensed ring skeletons. XI. Tetramethyl tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate and its corresponding tetradec-8-ene Acta Crystallographica Section C 49(3) (1993) 514-517
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001871.cif $ #-------------------------------------------------------------------...
2,001,872
6.0842
0.0002
12.7171
0.0007
27.8011
0.0016
90
null
93.183
0.003
90
null
2,147.75
0.19
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- C22 H30 O8 -
- C22 H30 O8 -
- C88 H120 O32 -
4
1
DU0312
Drouin, M.; Michel-Dewez, N.; Michel, A. G.
Functionalized hydrocarbons with condensed ring skeletons. XI. Tetramethyl tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate and its corresponding tetradec-8-ene
Acta Crystallographica Section C
1,993
49
3
514
517
10.1107/S0108270192008151
1.54056
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Drouin, M.; Michel-Dewez, N.; Michel, A. G. Functionalized hydrocarbons with condensed ring skeletons. XI. Tetramethyl tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate and its corresponding tetradec-8-ene Acta Crystallographica Section C 49(3) (1993) 514-517
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001872.cif $ #-------------------------------------------------------------------...
2,001,873
10.833
0.002
13.184
0.003
13.375
0.003
89.73
0.03
74.52
0.03
71.95
0.03
1,744
0.8
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C20 H19 N O6 -
- C20 H19 N O6 -
- C80 H76 N4 O24 -
4
2
SE1008
Dokurno, P.; Gdaniec, M.; Kosturkiewicz, Z.; Matecka, D.; Rozwadowska, M. D.
Structure of (±)-egenine
Acta Crystallographica Section C
1,993
49
3
517
519
10.1107/S0108270192007509
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dokurno, P.; Gdaniec, M.; Kosturkiewicz, Z.; Matecka, D.; Rozwadowska, M. D. Structure of (±)-egenine Acta Crystallographica Section C 49(3) (1993) 517-519
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001873.cif $ #-------------------------------------------------------------------...
2,001,874
9.511
0.002
15.741
0.003
11.467
0.002
90
null
91.31
0.02
90
null
1,716.3
0.6
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C8 H10 O2 Se -
- C8 H10 O2 Se -
- C64 H80 O16 Se8 -
8
2
ST1004
Hoier, H.; Carrell, H. L.; Glusker, J. P.; Spears, C. P.
Structure of ethyl phenyl selenone
Acta Crystallographica Section C
1,993
49
3
520
523
10.1107/S0108270192008230
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hoier, H.; Carrell, H. L.; Glusker, J. P.; Spears, C. P. Structure of ethyl phenyl selenone Acta Crystallographica Section C 49(3) (1993) 520-523
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001874.cif $ #-------------------------------------------------------------------...
2,001,875
17.572
0.01
7.727
0.004
7.398
0.004
90
null
101.9
0.04
90
null
982.9
0.9
null
null
null
null
null
null
null
null
3
P 1 21/a 1
-P 2yab
null
- C28 H14 O6 -
- C28 H14 O6 -
- C56 H28 O12 -
2
0.5
ST1003
Hoier, H.; Zacharias, D. E.; Carrell, H. L.; Glusker, J. P.
Structure of the molecular complex of anthracene with 1,8:4,5-naphthalenetetracarboxylic dianhydride
Acta Crystallographica Section C
1,993
49
3
523
526
10.1107/S0108270192007388
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hoier, H.; Zacharias, D. E.; Carrell, H. L.; Glusker, J. P. Structure of the molecular complex of anthracene with 1,8:4,5-naphthalenetetracarboxylic dianhydride Acta Crystallographica Section C 49(3) (1993) 523-526
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001875.cif $ #-------------------------------------------------------------------...
2,001,876
13.293
0.003
8.099
0.002
13.815
0.003
90
null
120.474
0.005
90
null
1,281.9
0.5
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C14 H10 N4 O -
- C14 H10 N4 O -
- C56 H40 N16 O4 -
4
1
MU0297
Kožíšek, J.; Paulus, H.; Marchalín, Š.; Ilavský, D.
Structure of 4-(5-cyano-2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Acta Crystallographica Section C
1,993
49
3
526
528
10.1107/S0108270192010862
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kožíšek, J.; Paulus, H.; Marchalín, Š.; Ilavský, D. Structure of 4-(5-cyano-2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile Acta Crystallographica Section C 49(3) (1993) 526-528
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001876.cif $ #-------------------------------------------------------------------...
2,001,877
7.505
0.002
8.805
0.002
11.443
0.004
101.53
0.03
99.57
0.03
95.43
0.02
724.2
0.4
null
null
null
null
null
null
null
null
3
P -1
-P 1
2
- C18 H20 O3 -
- C18 H20 O3 -
- C36 H40 O6 -
2
1
HU1012
Letcher, R. M.; Cheung, K.-K.; Yue, T.-Y.
Structure of 12b-hydroxy-5-methyl-1,2,3,4,4a,5,6,12b-octahydro-12<i>H</i>-benzo[<i>a</i>]xanthen-12-one
Acta Crystallographica Section C
1,993
49
3
528
530
10.1107/S0108270192009132
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Letcher, R. M.; Cheung, K.-K.; Yue, T.-Y. Structure of 12b-hydroxy-5-methyl-1,2,3,4,4a,5,6,12b-octahydro-12<i>H</i>-benzo[<i>a</i>]xanthen-12-one Acta Crystallographica Section C 49(3) (1993) 528-530
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001877.cif $ #-------------------------------------------------------------------...
2,001,878
10.13
0.002
7.39
0.008
20.77
0.003
90
null
105.42
0.01
90
null
1,498.9
1.7
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- C18 H22 N2 -
- C18 H22 N2 -
- C72 H88 N8 -
4
1
CR0269
Prasad, S. M.; Narayan, S. P.; Mandal, D. K.; Gupta, S. C.
Structure of 5,6,11,12-tetrahydro-2,5,8,11-tetramethylphenomazine
Acta Crystallographica Section C
1,993
49
3
531
533
10.1107/S0108270192004384
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Prasad, S. M.; Narayan, S. P.; Mandal, D. K.; Gupta, S. C. Structure of 5,6,11,12-tetrahydro-2,5,8,11-tetramethylphenomazine Acta Crystallographica Section C 49(3) (1993) 531-533
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001878.cif $ #-------------------------------------------------------------------...
2,001,879
8.945
0.002
10.098
0.002
11.376
0.003
109.76
0.02
93.3
0.02
114.32
0.01
857.7
0.4
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C32 H44 Mn2 O8 P2 -
- C32 Mn2 O8 P2 -
- C32 Mn2 O8 P2 -
1
0.5
SE0088
Flörke, U.; Haupt, H.-J.
Dimanganese octacarbonyl complexes with bridging phosphanido ligands
Acta Crystallographica Section C
1,993
49
3
533
535
10.1107/S0108270192007443
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Flörke, U.; Haupt, H.-J. Dimanganese octacarbonyl complexes with bridging phosphanido ligands Acta Crystallographica Section C 49(3) (1993) 533-535
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001879.cif $ #-------------------------------------------------------------------...
2,001,880
6.848
0.001
8.72
0.002
10.805
0.002
100.16
0.01
99.43
0.01
106.22
0.01
594.1
0.2
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C20 H12 Mn2 O8 P2 -
- C20 Mn2 O8 P2 -
- C20 Mn2 O8 P2 -
1
0.5
SE0088
Flörke, U.; Haupt, H.-J.
Dimanganese octacarbonyl complexes with bridging phosphanido ligands
Acta Crystallographica Section C
1,993
49
3
533
535
10.1107/S0108270192007443
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Flörke, U.; Haupt, H.-J. Dimanganese octacarbonyl complexes with bridging phosphanido ligands Acta Crystallographica Section C 49(3) (1993) 533-535
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001880.cif $ #-------------------------------------------------------------------...
2,001,881
11.359
0.009
8.128
0.007
5.608
0.005
90
null
75.42
0.05
90
null
501.1
0.7
null
null
null
null
null
null
null
null
5
C 1 2/m 1
-C 2y
null
- C2 H12 N6 Ni S2 -
- C2 H12 N6 Ni S2 -
- C4 H24 N12 Ni2 S4 -
2
0.25
MU0288
Ďurčanská, E.; Kožíšek, J.; Ďurík, J.; Kettmann, V.
Redetermination of the structure of <i>trans</i>-tetraamminebis(thiocyanato-<i>N</i>)nickel(II)
Acta Crystallographica Section C
1,993
49
3
535
536
10.1107/S0108270192007121
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ďurčanská, E.; Kožíšek, J.; Ďurík, J.; Kettmann, V. Redetermination of the structure of <i>trans</i>-tetraamminebis(thiocyanato-<i>N</i>)nickel(II) Acta Crystallographica Section C 49(3) (1993) 535-536
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001881.cif $ #-------------------------------------------------------------------...
2,001,882
9.254
0.007
9.736
0.003
7.955
0.003
102.34
0.03
112.33
0.03
95.09
0.04
636.1
0.6
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C12 H14 Br Cu N2 -
- C12 H14 Br Cu N2 -
- C24 H28 Br2 Cu2 N4 -
2
1
SP1000
Jedrzejas, M. J.; Martuch, R. A.; Towns, R. L. R.; Baker, R. J.; Duraj, S. A.; Hepp, A. F.
Structure of bis(4-methylpyridine-<i>N</i>)copper(I) bromide
Acta Crystallographica Section C
1,993
49
3
536
538
10.1107/S0108270192006279
0.710326
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jedrzejas, M. J.; Martuch, R. A.; Towns, R. L. R.; Baker, R. J.; Duraj, S. A.; Hepp, A. F. Structure of bis(4-methylpyridine-<i>N</i>)copper(I) bromide Acta Crystallographica Section C 49(3) (1993) 536-538
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001882.cif $ #-------------------------------------------------------------------...
2,001,883
15.18
0.006
14.431
0.005
15.269
0.006
90
null
96.38
0.04
90
null
3,324
2
null
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
null
- C32 H30 Cu N4 O6 S2 -
- C32 H30 Cu N4 O6 S2 -
- C128 H120 Cu4 N16 O24 S8 -
4
0.5
SP1001
Jedrzejas, M. J.; Towns, R. L. R.; Baker, R. J.; Duraj, S. A.; Hepp, A. F.
Structure of bis(benzenesulfonato-<i>O</i>)tetrakis(pyridine-<i>N</i>)copper(II)
Acta Crystallographica Section C
1,993
49
3
538
540
10.1107/S0108270192006280
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jedrzejas, M. J.; Towns, R. L. R.; Baker, R. J.; Duraj, S. A.; Hepp, A. F. Structure of bis(benzenesulfonato-<i>O</i>)tetrakis(pyridine-<i>N</i>)copper(II) Acta Crystallographica Section C 49(3) (1993) 538-540
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001883.cif $ #-------------------------------------------------------------------...
2,001,884
8.831
0.004
14.27
0.008
6.774
0.008
91.98
0.08
99.33
0.09
85.13
0.05
839.1
1.2
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C11 H23 Cl2 N Si2 Ti -
- C11 H23 Cl2 N Si2 Ti -
- C22 H46 Cl4 N2 Si4 Ti2 -
2
1
PA1006
Laurent, F.; Legros, J.-P.
Structure of an allotropic form of [bis(trimethylsilyl)amido]dichloro(η^5^-cyclopentadienyl)titanium
Acta Crystallographica Section C
1,993
49
3
540
542
10.1107/S0108270192007315
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laurent, F.; Legros, J.-P. Structure of an allotropic form of [bis(trimethylsilyl)amido]dichloro(η^5^-cyclopentadienyl)titanium Acta Crystallographica Section C 49(3) (1993) 540-542
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001884.cif $ #-------------------------------------------------------------------...
2,001,885
14.145
0.007
16.482
0.008
17.589
0.008
90
null
90
null
90
null
4,101
3
null
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
null
- C40 H60 N2 Ni S4 -
- C40 H60 N2 Ni S4 -
- C160 H240 N8 Ni4 S16 -
4
1
HH1015
Rheingold, A. L.; Beall, K. S.; Riggs, P. J.; Groh, S. E.
Bis(tetraethylammonium) nickel tetrakisthiophenolate: a new polymorph
Acta Crystallographica Section C
1,993
49
3
542
543
10.1107/S0108270192007704
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rheingold, A. L.; Beall, K. S.; Riggs, P. J.; Groh, S. E. Bis(tetraethylammonium) nickel tetrakisthiophenolate: a new polymorph Acta Crystallographica Section C 49(3) (1993) 542-543
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001885.cif $ #-------------------------------------------------------------------...
2,001,886
11.269
0.003
14.095
0.005
8.508
0.005
90
null
100.01
0.06
90
null
1,330.8
1
null
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C14 H12 Cl N O2 S -
- C14 H12 Cl N O2 S -
- C56 H48 Cl4 N4 O8 S4 -
4
1
GR0194
Rivero, B. E.; Bianchet, M. A.; Bravo, R. D.
Structure of 3-(<i>p</i>-chlorophenyl)-3,4-dihydro-1<i>H</i>-2,3-benzothiazine 2,2-dioxide
Acta Crystallographica Section C
1,993
49
3
544
546
10.1107/S0108270192007881
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rivero, B. E.; Bianchet, M. A.; Bravo, R. D. Structure of 3-(<i>p</i>-chlorophenyl)-3,4-dihydro-1<i>H</i>-2,3-benzothiazine 2,2-dioxide Acta Crystallographica Section C 49(3) (1993) 544-546
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001886.cif $ #-------------------------------------------------------------------...
2,001,887
10.86
0.002
9.849
0.009
9.36
0.003
90
null
113
0.05
90
null
921.6
1
null
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
null
- C8 H8 Cl N O2 S -
- C8 H8 Cl N O2 S -
- C32 H32 Cl4 N4 O8 S4 -
4
1
GR0195
Rivero, B. E.; Bianchet, M. A.; Bravo, R. D.
Structure of 6-chloro-3,4-dihydro-1<i>H</i>-2,3-benzothiazine 2,2-dioxide
Acta Crystallographica Section C
1,993
49
3
546
548
10.1107/S0108270192007042
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rivero, B. E.; Bianchet, M. A.; Bravo, R. D. Structure of 6-chloro-3,4-dihydro-1<i>H</i>-2,3-benzothiazine 2,2-dioxide Acta Crystallographica Section C 49(3) (1993) 546-548
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001887.cif $ #-------------------------------------------------------------------...
2,001,888
8.785
0.004
8.318
0.003
4.92
0.001
90
null
103.62
0.03
90
null
349.4
0.2
null
null
null
null
null
null
null
null
4
C 1 m 1
null
- C6 H8 Br N -
- C6 H7 Br N -
- C12 H14 Br2 N2 -
2
0.5
HH0618
Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.
Structure of 4-methylpyridinium bromide
Acta Crystallographica Section C
1,993
49
3
548
550
10.1107/S0108270192006826
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A. Structure of 4-methylpyridinium bromide Acta Crystallographica Section C 49(3) (1993) 548-550
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001888.cif $ #-------------------------------------------------------------------...
2,001,889
6.062
0.002
7.242
0.001
23.375
0.004
90
null
90
null
90
null
1,026.2
0.4
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C13 H10 O3 -
- C13 H10 O3 -
- C52 H40 O12 -
4
1
ST1002
King, Jnr, J. A.; Bryant, Jnr, G. L.
Structure of diphenyl carbonate
Acta Crystallographica Section C
1,993
49
3
550
551
10.1107/S0108270192007571
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
King, Jnr, J. A.; Bryant, Jnr, G. L. Structure of diphenyl carbonate Acta Crystallographica Section C 49(3) (1993) 550-551
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001889.cif $ #-------------------------------------------------------------------...
2,001,890
13.723
0.004
9.827
0.003
19.328
0.007
90
null
96.57
0.03
90
null
2,589.4
1.4
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C33 H30 B N O2 -
- C32 H30 B N O2 -
- C128 H120 B4 N4 O8 -
4
1
ST1001
Bryant, Jnr, G. L.; King, Jnr, J. A.
Structure of two polymorphic acylpyridinium salts
Acta Crystallographica Section C
1,993
49
3
551
554
10.1107/S0108270192007583
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bryant, Jnr, G. L.; King, Jnr, J. A. Structure of two polymorphic acylpyridinium salts Acta Crystallographica Section C 49(3) (1993) 551-554
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001890.cif $ #-------------------------------------------------------------------...
2,001,891
10.09
0.004
14.762
0.006
18.057
0.007
90
null
105.12
0.03
90
null
2,596.5
1.8
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C34 H30 B N O2 -
- C32 H30 B N O2 -
- C128 H120 B4 N4 O8 -
4
1
ST1001
Bryant, Jnr, G. L.; King, Jnr, J. A.
Structure of two polymorphic acylpyridinium salts
Acta Crystallographica Section C
1,993
49
3
551
554
10.1107/S0108270192007583
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bryant, Jnr, G. L.; King, Jnr, J. A. Structure of two polymorphic acylpyridinium salts Acta Crystallographica Section C 49(3) (1993) 551-554
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001891.cif $ #-------------------------------------------------------------------...
2,001,892
8.3925
0.0014
8.0054
0.0014
24.305
0.004
90
null
98.518
0.006
90
null
1,614.9
0.5
null
null
null
null
null
null
null
null
6
P 1 21 1
P 2yb
4
- C31 H41 N2 O8 P S2 -
- C31 H23 N2 O8 P S2 -
- C62 H46 N4 O16 P2 S4 -
2
1
ST1007
Berkman, C. E.; Fernandez, E. J.; Thompson, C. M.; Pavkovic, S. F.
Structure of 19-methylstrychninium (<i>S</i>)-{<i>S</i>-[(<i>R</i>)-1,2-di(ethoxycarbonyl)ethyl] <i>O</i>-methyl phosphorodithioate}
Acta Crystallographica Section C
1,993
49
3
554
556
10.1107/S0108270192007637
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Berkman, C. E.; Fernandez, E. J.; Thompson, C. M.; Pavkovic, S. F. Structure of 19-methylstrychninium (<i>S</i>)-{<i>S</i>-[(<i>R</i>)-1,2-di(ethoxycarbonyl)ethyl] <i>O</i>-methyl phosphorodithioate} Acta Crystallographica Section C 49(3) (1993) 554-556
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001892.cif $ #-------------------------------------------------------------------...
2,001,893
12.594
0.002
12.594
0.002
12.594
0.002
118.03
0.01
118.03
0.01
118.03
0.01
720
1
null
null
null
null
null
null
null
null
4
R 3 :R
P 3*
146
- C9 H16 N2 O2 -
- C9 H16 N2 O2 -
- C27 H48 N6 O6 -
3
1
HL1011
Mackay, M. F.; Banwell, M. G.; Richards, S. L.
Structure of (3aα,4α,7α,7aα)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxolane-4,7-diamine
Acta Crystallographica Section C
1,993
49
3
556
558
10.1107/S0108270192007819
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mackay, M. F.; Banwell, M. G.; Richards, S. L. Structure of (3aα,4α,7α,7aα)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxolane-4,7-diamine Acta Crystallographica Section C 49(3) (1993) 556-558
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001893.cif $ #-------------------------------------------------------------------...
2,001,894
5.305
0.001
9.486
0.002
11.437
0.003
94.1
0.2
93.8
0.2
93.6
0.2
571.5
0.3
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C13 H10 N2 O3 -
- C13 H10 N2 O3 -
- C26 H20 N4 O6 -
2
1
AB0276
Durruthy, O.; Pomés, R.; Fajardo, F.; Dago, A.
Structure of <i>N</i>-(2-furylmethyl)-α-cyano-2-furanacrylamide
Acta Crystallographica Section C
1,993
49
3
558
559
10.1107/S010827019200698X
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Durruthy, O.; Pomés, R.; Fajardo, F.; Dago, A. Structure of <i>N</i>-(2-furylmethyl)-α-cyano-2-furanacrylamide Acta Crystallographica Section C 49(3) (1993) 558-559
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001894.cif $ #-------------------------------------------------------------------...
2,001,895
23.01
0.04
13.91
0.01
7.58
0.04
90
null
90
null
90
null
2,426
14
null
null
null
null
null
null
null
null
4
P b c a
null
- C9 H9 Cl3 O4 -
- C9 H9 Cl3 O4 -
- C72 H72 Cl24 O32 -
8
1
AB0277
Durruthy, O.; Pomés, R.; Fajardo, F.; Dago, A.
Structure of ethyl 5-(2,2,2-trichloro-1-hydroxyethyl)furan-2-carboxylate
Acta Crystallographica Section C
1,993
49
3
559
560
10.1107/S0108270192006991
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Durruthy, O.; Pomés, R.; Fajardo, F.; Dago, A. Structure of ethyl 5-(2,2,2-trichloro-1-hydroxyethyl)furan-2-carboxylate Acta Crystallographica Section C 49(3) (1993) 559-560
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001895.cif $ #-------------------------------------------------------------------...
2,001,896
8.724
0.003
12.009
0.003
15.78
0.004
90
null
91.81
0.03
90
null
1,652.4
0.8
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C17 H23 N O3 S -
- C17 H23 N O3 S -
- C68 H92 N4 O12 S4 -
4
1
HA1011
Feneau-Dupont, J.; Declercq, J.-P.; Vanwetswinkel, S.; Genicot, C.
8-(<i>N</i>-Methyl-<i>N</i>-tosylamino)bicyclo[4.2.0]octane-7-spiro-2'-oxacyclopropane
Acta Crystallographica Section C
1,993
49
3
561
562
10.1107/S0108270192008175
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Feneau-Dupont, J.; Declercq, J.-P.; Vanwetswinkel, S.; Genicot, C. 8-(<i>N</i>-Methyl-<i>N</i>-tosylamino)bicyclo[4.2.0]octane-7-spiro-2'-oxacyclopropane Acta Crystallographica Section C 49(3) (1993) 561-562
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001896.cif $ #-------------------------------------------------------------------...
2,001,897
12.104
0.003
26.712
0.005
7.138
0.001
90
null
90
null
90
null
2,307.9
0.8
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C25 H29 N O5 -
- C25 H29 N O5 -
- C100 H116 N4 O20 -
4
1
CR1009
Suh, I.-H.; Seo, B.-I.; Lewis, D. E.; Jensen, W. P.; Jacobson, R. A.
Structure of the <i>p</i>-nitrobenzoate ester of 3-<i>endo</i>-(<i>p</i>-methoxybenzyl)isoborneol
Acta Crystallographica Section C
1,993
49
3
562
565
10.1107/S010827019200787X
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Suh, I.-H.; Seo, B.-I.; Lewis, D. E.; Jensen, W. P.; Jacobson, R. A. Structure of the <i>p</i>-nitrobenzoate ester of 3-<i>endo</i>-(<i>p</i>-methoxybenzyl)isoborneol Acta Crystallographica Section C 49(3) (1993) 562-565
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001897.cif $ #-------------------------------------------------------------------...
2,001,898
6.105
0.002
21.184
0.005
11.356
0.007
90
null
91.14
0.03
90
null
1,468.4
1.1
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C14 H17 N3 O2 -
- C14 H17 N3 O2 -
- C56 H68 N12 O8 -
4
1
HA1014
Feneau-Dupont, J.; Declercq, J.-P.; Labille, M. C.; Janousek, Z.; Viehe, H. G.
3-Cyano-3-dimethylamino-4-ethoxy-1-phenyl-2-azetidinone
Acta Crystallographica Section C
1,993
49
3
567
569
10.1107/S0108270192008448
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Feneau-Dupont, J.; Declercq, J.-P.; Labille, M. C.; Janousek, Z.; Viehe, H. G. 3-Cyano-3-dimethylamino-4-ethoxy-1-phenyl-2-azetidinone Acta Crystallographica Section C 49(3) (1993) 567-569
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001898.cif $ #-------------------------------------------------------------------...
2,001,899
9.046
0.001
9.046
0.001
27.883
0.001
90
null
90
null
120
null
1,976
0.3
294
null
null
null
null
null
null
null
5
P 63/m c m
-P 6c 2
null
- Ca K7 Nb14 O47 Si4 -
- Ca3 K6 Nb14 O47 Si4 -
- Ca6 K12 Nb28 O94 Si8 -
2
0.083333
PA1008
Borel, M. M.; Chardon, J.; Grandin, A.; Leclaire, A.; Raveau, B.
Structure of a new siliconiobate K~6.5~Ca~0.75~Nb~14~Si~4~O~47~
Acta Crystallographica Section C
1,993
49
3
570
571
10.1107/S0108270192010254
0.71073
MoKα
null
0.028
null
null
0.027
null
null
null
null
1.004
1.004
null
null
null
has coordinates
Borel, M. M.; Chardon, J.; Grandin, A.; Leclaire, A.; Raveau, B. Structure of a new siliconiobate K~6.5~Ca~0.75~Nb~14~Si~4~O~47~ Acta Crystallographica Section C 49(3) (1993) 570-571
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/18/2001899.cif $ #-------------------------------------------------------------------...
2,001,900
7.268
0.004
7.342
0.004
19.553
0.011
94.43
0.06
90.31
0.06
90.9
0.06
1,040.1
1
180
0.5
180
0.5
null
null
null
null
3
P -1
-P 1
2
2,5-diiodo-1,2,4,5-tetraphospha-3,6,7-trithiabicyclo[2.2.1]heptane
- I2 P4 S3 -
- I2 P4 S3 -
- I8 P16 S12 -
4
2
MU1018
Tattershall, B. W.; Kendall, N. L.; McCamley, A.; Clegg, W.
Redetermination of the structure of α-tetraphosphorus trisulfide diiodide at 180 K
Acta Crystallographica Section C
1,993
49
3
571
573
10.1107/S0108270192011466
0.71073
MoKα
0.0403
0.0403
null
0.1114
0.1112
null
null
null
1.238
1.238
1.238
null
null
null
has coordinates
Tattershall, B. W.; Kendall, N. L.; McCamley, A.; Clegg, W. Redetermination of the structure of α-tetraphosphorus trisulfide diiodide at 180 K Acta Crystallographica Section C 49(3) (1993) 571-573
201,955
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/19/2001900.cif $ #-------------------------------------------------------------------...
2,001,901
10.2649
0.0014
12.1774
0.0018
12.952
0.002
114.19
0.01
96.47
0.01
75.09
0.01
1,427.1
0.4
293
null
293
null
null
null
null
null
7
P -1
-P 1
2
Bis[1,2-bis(diphenylphosphino)ethane]platinum(II) iodide bis(deuteriochloroform) solvate
- C54 H48 Cl6 D2 I2 P4 Pt -
- C54 H48 Cl6 D2 I2 P4 Pt -
- C54 H48 Cl6 D2 I2 P4 Pt -
1
0.5
BR1014
Ferguson, G.; Lough, A. J.; McAlees, A. J.; McCrindle, R.
Bis[1,2-bis(diphenylphosphino)ethane]platinum(II) iodide bis(deuteriochloroform) solvate
Acta Crystallographica Section C
1,993
49
3
573
576
10.1107/S0108270192010217
0.7093
MolybdenumKα
null
0.033
null
null
0.037
null
null
null
null
1.31
1.31
null
null
null
has coordinates
Ferguson, G.; Lough, A. J.; McAlees, A. J.; McCrindle, R. Bis[1,2-bis(diphenylphosphino)ethane]platinum(II) iodide bis(deuteriochloroform) solvate Acta Crystallographica Section C 49(3) (1993) 573-576
191,979
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-02-10 18:36:48 +0200 (Fri, 10 Feb 2017) $ #$Revision: 191979 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/19/2001901.cif $ #-------------------------------------------------------------------...
2,001,902
12.03
0.001
7.792
0.001
13.711
0.001
90
null
108.94
0.01
90
null
1,215.7
0.2
297
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C12 Cd F10 -
- C12 Cd F10 -
- C48 Cd4 F40 -
4
1
SE1005
Strasdeit, H.; Büsching, I.; Duhme, A.-K.; Pohl, S.
Structure of the two-coordinate cadmium complex bis(pentafluorophenyl)cadmium(II), [Cd(C~6~F~5~)~2~]
Acta Crystallographica Section C
1,993
49
3
576
578
10.1107/S010827019201014X
0.71069
MoKα
null
0.027
null
null
0.029
null
null
null
null
null
null
null
null
null
has coordinates
Strasdeit, H.; Büsching, I.; Duhme, A.-K.; Pohl, S. Structure of the two-coordinate cadmium complex bis(pentafluorophenyl)cadmium(II), [Cd(C~6~F~5~)~2~] Acta Crystallographica Section C 49(3) (1993) 576-578
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/19/2001902.cif $ #-------------------------------------------------------------------...