file
int64
a
float64
siga
float64
b
float64
sigb
float64
c
float64
sigc
float64
alpha
float64
sigalpha
float64
beta
float64
sigbeta
float64
gamma
float64
siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
float64
cellpressure
float64
sigcellpressure
float64
diffrpressure
float64
sigdiffrpressure
float64
thermalhist
string
pressurehist
string
compoundsource
string
nel
string
sg
string
sgHall
string
sgNumber
int64
commonname
string
chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
Zprime
float64
acce_code
string
authors
string
title
string
journal
string
year
int64
volume
int64
issue
string
firstpage
string
lastpage
string
doi
string
method
string
radiation
string
wavelength
float64
radType
string
radSymbol
string
Rall
float64
Robs
float64
Rref
float64
wRall
float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
gofobs
float64
gofgt
float64
gofref
float64
duplicateof
int64
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string
2,009,471
8.68
0.005
28.35
0.02
9.022
0.004
90
null
99.81
0.04
90
null
2,188
2
293
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C21 H21 I O3 Sn -
- C21 H21 I O3 Sn -
- C84 H84 I4 O12 Sn4 -
4
1
MU1066
Howie, R.A.; Ross, J.N.; Wardell, J.L.; Low, J.N.
Tris(2-methoxyphenyl)tin iodide
Acta Crystallographica Section C
1,994
50
2
229
231
10.1107/S0108270193008297
0.71073
MoKα
null
0.064
null
null
0.058
null
null
null
null
null
null
null
null
null
has coordinates
Howie, R.A.; Ross, J.N.; Wardell, J.L.; Low, J.N. Tris(2-methoxyphenyl)tin iodide Acta Crystallographica Section C 50(2) (1994) 229-231
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/2/00/94/2009471.cif $ #-------------------------------------------------------------------...
4,321,835
12.516
0.002
21.327
0.003
22.764
0.003
90
null
98.281
0.013
90
null
6,013
1.5
130
2
130
2
null
null
null
null
6
C 1 c 1
C -2yc
9
- C57 H56 Cl11 N4 O4 Zn -
- C57 H48 Cl11 N4 O4 Zn -
- C228 H192 Cl44 N16 O16 Zn4 -
4
1
Noëlle Ehlinger; W. Robert Scheidt
Structure and Apparent Reactivity of the π-Cation Radical Derivatives of Zinc and Copper 5,10,15,20-Tetra(2,6-dichlorophenyl)porphyrinate
Inorganic Chemistry
1,999
38
1316
1321
10.1021/ic981041n
0.71073
MoKα
0.098
0.0742
null
null
0.1834
0.2033
null
null
null
null
null
1.053
null
null
has coordinates
Noëlle Ehlinger; W. Robert Scheidt Structure and Apparent Reactivity of the π-Cation Radical Derivatives of Zinc and Copper 5,10,15,20-Tetra(2,6-dichlorophenyl)porphyrinate Inorganic Chemistry 38 (1999) 1316-1321
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321835.cif $ #-------------------------------------------------------------------...
2,009,472
8.831
0.002
11.955
0.002
10.834
0.002
90
null
108.12
0.03
90
null
1,087.1
0.4
293
2
293
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
tetrakis(dimethyl sulfoxide)di-μ-fluoro-hexafluorodizirconium(IV)
- C8 H24 F8 O4 S4 Zr2 -
- C4 H12 F4 O2 S2 Zr -
- C16 H48 F16 O8 S8 Zr4 -
4
1
MU1073
Alcock, Nathaniel W.; Errington, William; Golby, Sarah L.; Patterson, Siobhan M.C.; Wallbridge, Malcolm G.H.
Di-μ-fluoro-bis[bis(dimethyl sulfoxide)trifluorozirconium(IV)]
Acta Crystallographica Section C
1,994
50
2
226
227
10.1107/S0108270193008054
0.71073
MoKα
0.0661
0.0527
null
0.1497
0.1497
null
null
null
1.07
1.068
1.068
null
null
null
has coordinates
Alcock, Nathaniel W.; Errington, William; Golby, Sarah L.; Patterson, Siobhan M.C.; Wallbridge, Malcolm G.H. Di-μ-fluoro-bis[bis(dimethyl sulfoxide)trifluorozirconium(IV)] Acta Crystallographica Section C 50(2) (1994) 226-227
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/2/00/94/2009472.cif $ #-------------------------------------------------------------------...
2,009,473
21.9907
0.0011
15.3069
0.001
17.0651
0.0008
90
null
119.039
0.004
90
null
5,022.2
0.5
293
null
293
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
(ferrocenylmethyl)triphenylphosphonium iodide
(ferrocenylmethyl)triphenylphosphonium iodide
- C29 H26 Fe I P -
- C29 H26 Fe I P -
- C232 H208 Fe8 I8 P8 -
8
1
MU1077
Glidewell, Christopher; Zakaria, Choudhury M.; Ferguson, George; Gallagher, John F.
C‒H^{···^}I^{-^} interactions in ferrocene derivatives: structures of (Ferrocenylmethyl)triphenylphosphonium iodide and 1,1'-ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)
Acta Crystallographica Section C
1,994
50
2
233
238
10.1107/S0108270193007929
0.71073
MolybdenumKα
0.041
0.023
null
0.036
0.034
null
null
null
null
1.41
1.41
null
null
null
has coordinates
Glidewell, Christopher; Zakaria, Choudhury M.; Ferguson, George; Gallagher, John F. C‒H^{···^}I^{-^} interactions in ferrocene derivatives: structures of (Ferrocenylmethyl)triphenylphosphonium iodide and 1,1'-ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1) Acta Crystallographica Sectio...
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/2/00/94/2009473.cif $ #-------------------------------------------------------------------...
2,009,474
10.2799
0.0008
13.0137
0.0007
19.3758
0.0011
105.137
0.005
98.049
0.006
107.414
0.006
2,319.5
0.3
293
null
293
null
null
null
null
null
6
P -1
-P 1
2
1,1'-Ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)
1,1'-Ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)
- C49 H44 Cl2 Fe I2 P2 -
- C49 H43.5 Cl2 Fe I2 P2 -
- C98 H87 Cl4 Fe2 I4 P4 -
2
1
MU1077
Glidewell, Christopher; Zakaria, Choudhury M.; Ferguson, George; Gallagher, John F.
C‒H^{···^}I^{-^} interactions in ferrocene derivatives: structures of (Ferrocenylmethyl)triphenylphosphonium iodide and 1,1'-ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)
Acta Crystallographica Section C
1,994
50
2
233
238
10.1107/S0108270193007929
0.71073
MolybdenumKα
0.067
0.032
null
0.046
0.041
null
null
null
null
1.31
1.31
null
null
null
has coordinates
Glidewell, Christopher; Zakaria, Choudhury M.; Ferguson, George; Gallagher, John F. C‒H^{···^}I^{-^} interactions in ferrocene derivatives: structures of (Ferrocenylmethyl)triphenylphosphonium iodide and 1,1'-ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1) Acta Crystallographica Sectio...
191,977
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-02-10 18:21:58 +0200 (Fri, 10 Feb 2017) $ #$Revision: 191977 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009474.cif $ #-------------------------------------------------------------------...
2,009,475
41.505
0.006
19.45
0.002
6.338
0.001
90
null
90
null
90
null
5,116.5
1.2
293
null
null
null
null
null
null
null
4
F d d 2
F 2 -2d
null
- C13 H16 N2 O3 -
- C13 H16 N2 O3 -
- C208 H256 N32 O48 -
16
1
NA1033
Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.
Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives
Acta Crystallographica Section C
1,994
50
2
239
245
10.1107/S0108270193006997
0.71069
MoKα
null
0.029
null
null
0.032
null
null
null
null
1.139
1.139
null
null
null
has coordinates
Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C. Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives Acta Crystallographica Section C 50(2) (1994) 239-245
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009475.cif $ #-------------------------------------------------------------------...
4,321,834
16.766
0.004
9.287
0.002
7.392
0.002
90
null
110.536
0.006
90
null
1,077.8
0.5
120
2
120
2
null
null
null
null
Hydrothermal reaction of copper (I) bromide, copper(II) bromide, and (2,2')-dipyridyl
5
C 1 2/c 1
-C 2yc
15
- C5 H4 Br Cu0.5 N -
- C5 H4 Br Cu0.5 N -
- C40 H32 Br8 Cu4 N8 -
8
1
Robert P. Hammond; Michael Cavaluzzi; Robert C. Haushalter; Jon A. Zubieta
Investigations of the Copper Bromide-2,2'-Dipyridyl System: Hydrothermal Synthesis and Structural Characterization of Molecular Cu3Br4(C10H8N2)2, One-Dimensional CuBr2(C10H8N2), and Two-Dimensional [Cu2(OH)2(C10H8N2)2][Cu4Br6]
Inorganic Chemistry
1,999
38
1288
1292
10.1021/ic980997v
0.71073
MoKα
0.0423
0.0351
null
0.089
0.0861
null
null
null
1.035
1.074
1.074
null
null
null
has coordinates
Robert P. Hammond; Michael Cavaluzzi; Robert C. Haushalter; Jon A. Zubieta Investigations of the Copper Bromide-2,2'-Dipyridyl System: Hydrothermal Synthesis and Structural Characterization of Molecular Cu3Br4(C10H8N2)2, One-Dimensional CuBr2(C10H8N2), and Two-Dimensional [Cu2(OH)2(C10H8N2)2][Cu4Br6] Inorganic Chemistr...
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321834.cif $ #-------------------------------------------------------------------...
2,009,476
36.05
0.005
4.943
0.001
19.793
0.003
90
null
108.72
0.01
90
null
3,340.4
1
293
null
null
null
null
null
null
null
4
C 1 c 1
C -2yc
null
- C17 H18 N4 O3 -
- C8.5 H9 N2 O1.5 -
- C68 H72 N16 O12 -
8
2
NA1033
Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.
Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives
Acta Crystallographica Section C
1,994
50
2
239
245
10.1107/S0108270193006997
0.71069
MoKα
null
0.038
null
null
0.048
null
null
null
null
1.13
1.13
null
null
null
has coordinates
Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C. Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives Acta Crystallographica Section C 50(2) (1994) 239-245
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/2/00/94/2009476.cif $ #-------------------------------------------------------------------...
2,009,477
9.398
0.001
18.422
0.002
12.663
0.001
90
null
91.46
0.01
90
null
2,191.6
0.4
293
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C21 H23 N5 O5 -
- C21 H25 N5 O5 -
- C84 H100 N20 O20 -
4
2
NA1033
Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.
Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives
Acta Crystallographica Section C
1,994
50
2
239
245
10.1107/S0108270193006997
0.71069
MoKα
null
0.034
null
null
0.041
null
null
null
null
0.7469
0.7469
null
null
null
has coordinates
Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C. Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives Acta Crystallographica Section C 50(2) (1994) 239-245
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/2/00/94/2009477.cif $ #-------------------------------------------------------------------...
2,009,478
23.92
0.008
5.593
0.002
16.028
0.009
90
null
100.74
0.04
90
null
2,106.7
1.6
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C23 H25 N O5 -
- C23 H25 N O5 -
- C92 H100 N4 O20 -
4
1
NA1045
Centore, R.
2-(4-Pentanoyloxyphenyl)-6-pentanoyloxybenzoxazole
Acta Crystallographica Section C
1,994
50
2
260
263
10.1107/S010827019300678X
0.71069
MoKα(graphitemonochromated)
null
0.053
null
null
0.055
null
null
null
null
1.555
1.555
null
null
null
has coordinates
Centore, R. 2-(4-Pentanoyloxyphenyl)-6-pentanoyloxybenzoxazole Acta Crystallographica Section C 50(2) (1994) 260-263
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009478.cif $ #-------------------------------------------------------------------...
2,009,479
11.679
0.002
8.301
0.001
13.554
0.001
90
null
91.97
0.02
90
null
1,313.2
0.3
292
null
292
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
2-{[5-Phenyl-1,3,4(3H)-thiadiazin-2-yl]imino}-3-pyridinol
- C14 H12 N4 O S -
- C14 H12 N4 O S -
- C56 H48 N16 O4 S4 -
4
1
NA1048
Josef Macíček; Olyana Angelova; Veneta Kalcheva; Madlena Tosheva
2-[(5-Phenyl-2,3-dihydro-6<i>H</i>-1,3,4-thiadiazin-2-ylidene)amino]-3-pyridinol
Acta Crystallographica Section C
1,994
50
2
252
254
10.1107/S0108270193011916
0.71073
MoKα
0.114
0.034
null
0.059
0.03
null
null
null
2.171
1.48
1.48
null
null
null
has coordinates
Josef Macíček; Olyana Angelova; Veneta Kalcheva; Madlena Tosheva 2-[(5-Phenyl-2,3-dihydro-6<i>H</i>-1,3,4-thiadiazin-2-ylidene)amino]-3-pyridinol Acta Crystallographica Section C 50(2) (1994) 252-254
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009479.cif $ #-------------------------------------------------------------------...
2,009,480
16.768
0.006
8.958
0.003
17.243
0.004
90
null
113.5
0.02
90
null
2,375.2
1.3
295
2
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C26 H31 N3 O4 -
- C26 H31 N3 O4 -
- C104 H124 N12 O16 -
4
1
OH1017
Kido, M.; Kondo, K.; Yamashita, H.; Ogawa, H.
Structure of OPC-21268
Acta Crystallographica Section C
1,994
50
2
302
304
10.1107/S0108270193007358
0.7107
MoKα
null
0.043
null
null
0.049
null
null
null
null
1.39
1.39
null
null
null
has coordinates
Kido, M.; Kondo, K.; Yamashita, H.; Ogawa, H. Structure of OPC-21268 Acta Crystallographica Section C 50(2) (1994) 302-304
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009480.cif $ #-------------------------------------------------------------------...
2,009,481
7.404
0.001
5.591
0.001
87.662
0.009
90
null
90
null
90
null
3,628.8
0.9
296
null
null
null
null
null
null
null
3
P b c a
-P 2ac 2ab
null
- C18 H36 O2 -
- C18 H36 O2 -
- C144 H288 O16 -
8
1
OH1030
Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M.
Double-layered polytypic structure of the B form of octadecanoic acid, C~18~H~36~O~2~
Acta Crystallographica Section C
1,994
50
2
245
247
10.1107/S010827019300736X
1.5418
CuKα
null
0.062
null
null
0.086
null
null
null
null
1.66
1.66
null
null
null
has coordinates
Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M. Double-layered polytypic structure of the B form of octadecanoic acid, C~18~H~36~O~2~ Acta Crystallographica Section C 50(2) (1994) 245-247
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009481.cif $ #-------------------------------------------------------------------...
4,321,833
10.604
0.002
11.642
0.003
11.688
0.003
61.965
0.005
68.346
0.005
69.523
0.005
1,156
0.5
120
2
120
2
null
null
null
null
Hydrothermal reaction of copper (I) bromide, copper(II) bromide, and (2,2')-dipyridyl
5
P -1
-P 1
2
- C20 H16 Br4 Cu3 N4 -
- C20 H16 Br4 Cu3 N4 -
- C40 H32 Br8 Cu6 N8 -
2
1
Robert P. Hammond; Michael Cavaluzzi; Robert C. Haushalter; Jon A. Zubieta
Investigations of the Copper Bromide-2,2'-Dipyridyl System: Hydrothermal Synthesis and Structural Characterization of Molecular Cu3Br4(C10H8N2)2, One-Dimensional CuBr2(C10H8N2), and Two-Dimensional [Cu2(OH)2(C10H8N2)2][Cu4Br6]
Inorganic Chemistry
1,999
38
1288
1292
10.1021/ic980997v
0.71073
MoKα
0.0582
0.0408
null
0.0947
0.0877
null
null
null
1.051
1.092
1.092
null
null
null
has coordinates
Robert P. Hammond; Michael Cavaluzzi; Robert C. Haushalter; Jon A. Zubieta Investigations of the Copper Bromide-2,2'-Dipyridyl System: Hydrothermal Synthesis and Structural Characterization of Molecular Cu3Br4(C10H8N2)2, One-Dimensional CuBr2(C10H8N2), and Two-Dimensional [Cu2(OH)2(C10H8N2)2][Cu4Br6] Inorganic Chemistr...
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321833.cif $ #-------------------------------------------------------------------...
2,009,482
23.386
0.005
9.69
0.002
20.367
0.005
90
null
114.94
0.02
90
null
4,185
1.8
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C44 H61 B F4 N4 -
- C44 H61 B F4 N4 -
- C176 H244 B4 F16 N16 -
4
1
OH1033
Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.
HBF~4~ and HBr salts of new chiral cyclens
Acta Crystallographica Section C
1,994
50
2
306
312
10.1107/S0108270193007139
0.71073
MoKα
null
0.06
null
null
0.055
null
null
null
null
1.5
1.5
null
null
null
has coordinates
Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T. HBF~4~ and HBr salts of new chiral cyclens Acta Crystallographica Section C 50(2) (1994) 306-312
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009482.cif $ #-------------------------------------------------------------------...
2,009,483
20.81
0.01
15.03
0.01
13.88
0.01
90
null
90
null
90
null
4,341
5
296
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
null
- C32 H62 B2 F8 N4 O8 -
- C32 H62 B2 F8 N4 O8 -
- C128 H248 B8 F32 N16 O32 -
4
1
OH1033
Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.
HBF~4~ and HBr salts of new chiral cyclens
Acta Crystallographica Section C
1,994
50
2
306
312
10.1107/S0108270193007139
0.71073
MoKα
null
0.108
null
null
0.096
null
null
null
null
3.04
3.04
null
null
null
has coordinates
Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T. HBF~4~ and HBr salts of new chiral cyclens Acta Crystallographica Section C 50(2) (1994) 306-312
190,732
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $ #$Revision: 190732 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009483.cif $ #-------------------------------------------------------------------...
2,009,484
9.973
0.001
20.718
0.003
7.541
0.002
90
null
90
null
90
null
1,558.1
0.5
293
null
null
null
null
null
null
null
4
P 21 21 2
P 2 2ab
null
- C30 H50 Br2 N4 -
- C30 H50 Br2 N4 -
- C60 H100 Br4 N8 -
2
0.5
OH1033
Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.
HBF~4~ and HBr salts of new chiral cyclens
Acta Crystallographica Section C
1,994
50
2
306
312
10.1107/S0108270193007139
0.71073
MoKα
null
0.06
null
null
0.068
null
null
null
null
2.18
2.18
null
null
null
has coordinates
Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T. HBF~4~ and HBr salts of new chiral cyclens Acta Crystallographica Section C 50(2) (1994) 306-312
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009484.cif $ #-------------------------------------------------------------------...
2,009,485
17.243
0.003
17.873
0.002
14.156
0.002
90
null
90
null
90
null
4,362.7
1.1
293
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C44 H62 Br2 N4 -
- C44 H62 Br2 N4 -
- C176 H248 Br8 N16 -
4
1
OH1033
Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.
HBF~4~ and HBr salts of new chiral cyclens
Acta Crystallographica Section C
1,994
50
2
306
312
10.1107/S0108270193007139
0.71073
MoKα
null
0.099
null
null
0.112
null
null
null
null
5.83
5.83
null
null
null
has coordinates
Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T. HBF~4~ and HBr salts of new chiral cyclens Acta Crystallographica Section C 50(2) (1994) 306-312
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009485.cif $ #-------------------------------------------------------------------...
2,009,486
11.096
0.002
17.308
0.003
10.526
0.002
90
null
116.53
0.01
90
null
1,808.6
0.6
296
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C12 H40 Mo8 N4 O26 -
- C12 H40 Mo8 N4 O26 -
- C24 H80 Mo16 N8 O52 -
2
0.5
OH1037
Gutiérrez-Zorrilla, J.M.; Yamase, T.; Sugeta, M.
Tetrakis(isopropylammonium) β-octamolybdate(VI)
Acta Crystallographica Section C
1,994
50
2
196
198
10.1107/S0108270193007371
0.71069
MoKα
null
0.0294
null
null
0.0329
null
null
null
null
4.82
4.82
null
null
null
has coordinates
Gutiérrez-Zorrilla, J.M.; Yamase, T.; Sugeta, M. Tetrakis(isopropylammonium) β-octamolybdate(VI) Acta Crystallographica Section C 50(2) (1994) 196-198
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009486.cif $ #-------------------------------------------------------------------...
2,009,487
7.359
0.001
5.609
0.001
88.41
0.01
90
null
90
null
90
null
3,649.3
0.9
286
null
null
null
null
null
null
null
3
P b c a
-P 2ac 2ab
null
- C18 H36 O2 -
- C18 H36 O2 -
- C144 H288 O16 -
8
1
OH1038
Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M.
Double-layered polytypic structure of the E form of octadecanoic acid, C~18~H~36~O~2~
Acta Crystallographica Section C
1,994
50
2
247
250
10.1107/S0108270193007243
1.5418
CuKα
null
0.064
null
null
0.095
null
null
null
null
1.99
1.99
null
null
null
has coordinates
Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M. Double-layered polytypic structure of the E form of octadecanoic acid, C~18~H~36~O~2~ Acta Crystallographica Section C 50(2) (1994) 247-250
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009487.cif $ #-------------------------------------------------------------------...
2,009,488
5.7238
0.0007
5.7238
0.0007
13.9649
0.0007
90
null
90
null
120
null
396.22
0.07
296
null
296
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
- Ba O3 Ti -
- Ba O3 Ti -
- Ba6 O18 Ti6 -
6
0.25
OH1053
Akimoto, J.; Gotoh, Y.; Oosawa, Y.
Refinement of hexagonal BaTiO~3~
Acta Crystallographica Section C
1,994
50
2
160
161
10.1107/S0108270193008637
0.71069
MoKα
0.043
0.037
null
0.036
0.036
null
null
null
null
null
null
null
null
null
has coordinates
Akimoto, J.; Gotoh, Y.; Oosawa, Y. Refinement of hexagonal BaTiO~3~ Acta Crystallographica Section C 50(2) (1994) 160-161
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/2/00/94/2009488.cif $ #-------------------------------------------------------------------...
2,009,489
9.111
0.004
6.547
0.004
17.93
0.01
90
null
98.8
0.05
90
null
1,056.9
1
293
1
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C9 H10 N2 O4 S -
- C9 H10 N2 O4 S -
- C36 H40 N8 O16 S4 -
4
1
PA1040
Viossat, B.; Nguyen-Huy, D.; Tomas, A.; Esanu, A.; Rolland, A.
Structure du 5-méthyl-2-thioxo-1,2,3,4-tétrahydro-7<i>H</i>-pyrano[2,3-<i>d</i>]pyrimidine-4,7-dione méthanol solvaté, C~8~H~6~N~2~O~3~S.CH~4~O
Acta Crystallographica Section C
1,994
50
2
269
271
10.1107/S0108270193003592
0.7107
MoKα
null
0.056
null
null
0.042
null
null
null
null
2.02
2.02
null
null
null
has coordinates
Viossat, B.; Nguyen-Huy, D.; Tomas, A.; Esanu, A.; Rolland, A. Structure du 5-méthyl-2-thioxo-1,2,3,4-tétrahydro-7<i>H</i>-pyrano[2,3-<i>d</i>]pyrimidine-4,7-dione méthanol solvaté, C~8~H~6~N~2~O~3~S.CH~4~O Acta Crystallographica Section C 50(2) (1994) 269-271
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009489.cif $ #-------------------------------------------------------------------...
4,321,832
10.907
0.003
6.0677
0.0013
21.62
0.005
90
null
90.542
0.004
90
null
1,430.8
0.6
120
2
293
2
null
null
null
null
Hydrothermal reaction of copper (I) bromide, copper(II) bromide, and (2,2')-dipyridyl
6
P 1 21/n 1
-P 2yn
14
- C10 H9 Br3 Cu3 N2 O -
- C10 H9 Br3 Cu3 N2 O -
- C40 H36 Br12 Cu12 N8 O4 -
4
1
Robert P. Hammond; Michael Cavaluzzi; Robert C. Haushalter; Jon A. Zubieta
Investigations of the Copper Bromide-2,2'-Dipyridyl System: Hydrothermal Synthesis and Structural Characterization of Molecular Cu3Br4(C10H8N2)2, One-Dimensional CuBr2(C10H8N2), and Two-Dimensional [Cu2(OH)2(C10H8N2)2][Cu4Br6]
Inorganic Chemistry
1,999
38
1288
1292
10.1021/ic980997v
0.71073
MoKα
0.0622
0.037
null
0.0786
0.0718
null
null
null
0.986
1.064
1.064
null
null
null
has coordinates
Robert P. Hammond; Michael Cavaluzzi; Robert C. Haushalter; Jon A. Zubieta Investigations of the Copper Bromide-2,2'-Dipyridyl System: Hydrothermal Synthesis and Structural Characterization of Molecular Cu3Br4(C10H8N2)2, One-Dimensional CuBr2(C10H8N2), and Two-Dimensional [Cu2(OH)2(C10H8N2)2][Cu4Br6] Inorganic Chemistr...
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321832.cif $ #-------------------------------------------------------------------...
2,009,490
9.62
0.003
11.051
0.002
13.017
0.003
113.1
0.04
96.8
0.03
90.26
0.02
1,262
0.7
293
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C40 H32 Mo6 O19 S8 -
- C40 H32 Mo6 O19 S8 -
- C40 H32 Mo6 O19 S8 -
1
0.5
PA1043
Triki, S.; Ouahab, L.; Fabre, J.M.
3,3'-Dimethyl-4,4'-diphenyl-2,2',5,5'-tetrathiafulvalenium hexamolybdate, 2(C~20~H~16~S~4~^+^)[Mo~6~O~19~]^2{-^}
Acta Crystallographica Section C
1,994
50
2
219
221
10.1107/S0108270193007292
0.71073
MoKα
null
0.028
null
null
0.037
null
null
null
null
0.855
0.855
null
null
null
has coordinates
Triki, S.; Ouahab, L.; Fabre, J.M. 3,3'-Dimethyl-4,4'-diphenyl-2,2',5,5'-tetrathiafulvalenium hexamolybdate, 2(C~20~H~16~S~4~^+^)[Mo~6~O~19~]^2{-^} Acta Crystallographica Section C 50(2) (1994) 219-221
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/2/00/94/2009490.cif $ #-------------------------------------------------------------------...
2,009,491
14.81
0.005
15.61
0.004
19.757
0.006
90
null
90
null
90
null
4,568
2
293
null
null
null
null
null
null
null
5
P c a b
-P 2bc 2ac
61
- C26 H19 Cl2 Co N3 -
- C26 H19 Cl2 Co N3 -
- C208 H152 Cl16 Co8 N24 -
8
1
PA1052
Viossat, B.; Nguyen-Huy, Dung; Lehuede, J.; Vierfond, J.M.
Dichloro(2,5-diphényl-3,4-di-2-pyridyl-1<i>H</i>-pyrrole-<i>N</i>,<i>N</i>')cobalt(II)
Acta Crystallographica Section C
1,994
50
2
211
214
10.1107/S0108270193007309
0.7107
MoKα
null
0.048
null
null
0.052
null
null
null
null
1.1
1.1
null
null
null
has coordinates
Viossat, B.; Nguyen-Huy, Dung; Lehuede, J.; Vierfond, J.M. Dichloro(2,5-diphényl-3,4-di-2-pyridyl-1<i>H</i>-pyrrole-<i>N</i>,<i>N</i>')cobalt(II) Acta Crystallographica Section C 50(2) (1994) 211-214
205,962
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-31 14:43:35 +0200 (Wed, 31 Jan 2018) $ #$Revision: 205962 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009491.cif $ #-------------------------------------------------------------------...
2,009,492
12.188
0.002
16.518
0.003
5.908
0.001
90
null
102.57
0.01
90
null
1,160.9
0.3
293
null
293
null
null
null
null
null
6
I 1 m 1
I -2y
8
Disodium Bis(chloranilato)uranyl(VI) Hexahydrate
- C12 H12 Cl4 Na2 O16 U -
- C12 H12 Cl4 Na2 O16 U -
- C24 H24 Cl8 Na4 O32 U2 -
2
0.5
SE1025
Bram, Andreas; Bruederl, Georg; Burzlaff, Hans; Lange, Joachim; Rothammel, Walter; Spengler, Roland; Karayannis, M.I.; Veltsistas, P.G.
Disodium bis(<i>o</i>-chloranilato)uranyl(VI) hexahydrate
Acta Crystallographica Section C
1,994
50
2
178
180
10.1107/S0108270193011680
0.7093
MoKα~1~
null
0.016
null
null
0.019
null
null
null
null
1.76
1.76
null
null
null
has coordinates
Bram, Andreas; Bruederl, Georg; Burzlaff, Hans; Lange, Joachim; Rothammel, Walter; Spengler, Roland; Karayannis, M.I.; Veltsistas, P.G. Disodium bis(<i>o</i>-chloranilato)uranyl(VI) hexahydrate Acta Crystallographica Section C 50(2) (1994) 178-180
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009492.cif $ #-------------------------------------------------------------------...
2,009,493
8.116
0.002
11.246
0.003
17.243
0.003
90
null
101.49
0.01
90
null
1,542.3
0.6
293
null
293
null
null
null
null
null
5
P 1 2/n 1
-P 2yac
13
Tetra(N-methylimidazol)-kupfer(II)-bis(triiodid)
- C16 H24 Cu I6 N8 -
- C16 H24 Cu I6 N8 -
- C32 H48 Cu2 I12 N16 -
2
0.5
SE1026
Tebbe, Karl-Friedrich; Nafepour, Shida
Tetra(<i>N</i>-methylimidazol)-kupfer(II)-bis(triiodid) [Cu(C~4~H~6~N~2~)~4~](I~3~)~2~
Acta Crystallographica Section C
1,994
50
2
171
173
10.1107/S0108270193007140
0.71069
MoKα
0.0394
0.0296
null
0.0335
0.0292
null
null
null
3.048
3.171
3.171
null
null
null
has coordinates
Tebbe, Karl-Friedrich; Nafepour, Shida Tetra(<i>N</i>-methylimidazol)-kupfer(II)-bis(triiodid) [Cu(C~4~H~6~N~2~)~4~](I~3~)~2~ Acta Crystallographica Section C 50(2) (1994) 171-173
191,032
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-27 16:38:21 +0200 (Fri, 27 Jan 2017) $ #$Revision: 191032 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009493.cif $ #-------------------------------------------------------------------...
2,009,494
8.848
0.003
16.139
0.003
16.465
0.004
90
null
103.64
0.02
90
null
2,284.9
1.1
291
1
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C22 H19 N3 S3 Sn -
- C22 H19 N3 S3 Sn -
- C88 H76 N12 S12 Sn4 -
4
1
SH1055
Schürmann, M.; Huber, F.
Tris(2-pyridinethiolato)(<i>p</i>-tolyl)tin(IV), [Sn(C~5~H~4~NS)~3~(C~7~H~7~)]
Acta Crystallographica Section C
1,994
50
2
206
209
10.1107/S0108270193007310
0.71073
MoKα
null
0.0485
null
null
0.0393
null
null
null
null
0.6
0.6
null
null
null
has coordinates
Schürmann, M.; Huber, F. Tris(2-pyridinethiolato)(<i>p</i>-tolyl)tin(IV), [Sn(C~5~H~4~NS)~3~(C~7~H~7~)] Acta Crystallographica Section C 50(2) (1994) 206-209
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/2/00/94/2009494.cif $ #-------------------------------------------------------------------...
2,009,495
10.342
0.002
24.358
0.002
25.962
0.005
90
null
96.358
0.009
90
null
6,499.9
1.9
295
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
null
- C76 H72 B O2 P4 Tc -
- C76 H68 B O2 P4 Tc -
- C304 H272 B4 O8 P16 Tc4 -
4
1
SH1056
Hübener, R.; Abram, U.; Hiller, W.
<i>trans</i>-Bisaquabis[1,2-bis(diphenylphosphino)ethane]technetium(I) tetraphenylborate
Acta Crystallographica Section C
1,994
50
2
188
190
10.1107/S0108270193006791
1.54056
CuKα
null
0.068
null
null
0.073
null
null
null
null
3.943
3.943
null
null
null
has coordinates
Hübener, R.; Abram, U.; Hiller, W. <i>trans</i>-Bisaquabis[1,2-bis(diphenylphosphino)ethane]technetium(I) tetraphenylborate Acta Crystallographica Section C 50(2) (1994) 188-190
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/2/00/94/2009495.cif $ #-------------------------------------------------------------------...
4,321,831
30.4228
0.0007
18.372
0.0005
32.3758
0.0008
90
null
95.857
0.001
90
null
18,001.3
0.8
198
2
198
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C56 H162 As24 Cl6 S52 Zn16 -
- C56 H162 As24 Cl6 S52 Zn16 -
- C224 H648 As96 Cl24 S208 Zn64 -
4
1
Alberto Albinati; Maurizio Casarin; Chiara Maccato; Luciano Pandolfo; Andrea Vittadini
Experimental and Theoretical Investigation of the Molecular and Electronic Structure of [Zn4(μ4-S){μ-S2As(CH3)2}6] and [Cd4(μ4-S){μ-S2As(CH3)2}6]: Two Possible Molecular Models of Extended Metal Chalcogenide Semiconductors
Inorganic Chemistry
1,999
38
1145
1152
10.1021/ic980914a
0.71073
MoKα
0.0702
0.0424
null
null
0.1074
0.1305
null
null
null
null
null
0.866
null
null
has coordinates
Alberto Albinati; Maurizio Casarin; Chiara Maccato; Luciano Pandolfo; Andrea Vittadini Experimental and Theoretical Investigation of the Molecular and Electronic Structure of [Zn4(μ4-S){μ-S2As(CH3)2}6] and [Cd4(μ4-S){μ-S2As(CH3)2}6]: Two Possible Molecular Models of Extended Metal Chalcogenide Semiconductors Inorganic ...
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321831.cif $ #-------------------------------------------------------------------...
2,009,496
17.723
0.003
15.126
0.003
14.796
0.003
90
null
90
null
90
null
3,966.5
1.3
221
3
221
3
null
null
null
null
5
P b c n
-P 2n 2ab
60
2,2'-bipyridyl meso-oxolane-3,4-diolato(2-) palladium(II) 6.5-hydrate
- C14 H27 N2 O9.5 Pd -
- C14 H27 N2 O9.5 Pd -
- C112 H216 N16 O76 Pd8 -
8
1
SH1065
Achternbosch, Matthias; Klüfers, Peter
Polyol metal complexes. V. Structure of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')[<i>meso</i>-oxolane-3,4-diolato(2–)-κ^2^<i>O</i>,<i>O</i>']palladium(II) 6.5-hydrate
Acta Crystallographica Section C
1,994
50
2
175
178
10.1107/S0108270193007322
0.71069
MoKα
0.0539
0.0266
null
0.0704
0.0618
null
null
null
1.046
1.106
1.106
null
null
null
has coordinates
Achternbosch, Matthias; Klüfers, Peter Polyol metal complexes. V. Structure of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')[<i>meso</i>-oxolane-3,4-diolato(2–)-κ^2^<i>O</i>,<i>O</i>']palladium(II) 6.5-hydrate Acta Crystallographica Section C 50(2) (1994) 175-178
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009496.cif $ #-------------------------------------------------------------------...
2,009,497
10.904
0.001
10.3686
0.0008
13.887
0.002
90
null
102.132
0.007
90
null
1,535
0.3
251
null
251
null
null
null
null
null
3
P 1 21/a 1
-P 2yab
14
1-(1,2,6,7,8,8a-hexahydro-3,6,6,8a-tetramethylacenaphthylen-4-yl)ethan-1-one
- C18 H24 O -
- C18 H24 O -
- C72 H96 O4 -
4
1
SH1068
De Ridder, Dirk J.A.; Goubitz, Kees; Schenk, Henk
Crystal studies of musk compounds. V. Structure of 1-(1,2,6,7,8,8a-hexahydro-3,6,6,8a-tetramethylacenaphthylen-4-yl)ethan-1-one
Acta Crystallographica Section C
1,994
50
2
265
267
10.1107/S0108270193006821
1.5418
CuKα
0.057
0.057
null
0.067
0.067
null
null
null
0.14
0.14
0.14
null
null
null
has coordinates
De Ridder, Dirk J.A.; Goubitz, Kees; Schenk, Henk Crystal studies of musk compounds. V. Structure of 1-(1,2,6,7,8,8a-hexahydro-3,6,6,8a-tetramethylacenaphthylen-4-yl)ethan-1-one Acta Crystallographica Section C 50(2) (1994) 265-267
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/94/2009497.cif $ #-------------------------------------------------------------------...
2,009,498
7.737
0.002
18.634
0.002
5.911
0.002
90
null
97.67
0.02
90
null
844.6
0.4
296
null
null
null
null
null
null
null
4
C 1 2/m 1
-C 2y
12
- C14 H14 Ca2 O13 -
- C14 H16 Ca2 O14 -
- C28 H32 Ca4 O28 -
2
0.25
ST1060
Fitzgerald, L.J.; Gerkin, R.E.
Dicalcium 1,4,5,8-naphthalenetetracarboxylate pentahydrate
Acta Crystallographica Section C
1,994
50
2
185
188
10.1107/S0108270193006092
0.71073
MoKᾱ
null
0.024
null
null
0.033
null
null
null
null
1.502
1.502
null
null
null
has coordinates
Fitzgerald, L.J.; Gerkin, R.E. Dicalcium 1,4,5,8-naphthalenetetracarboxylate pentahydrate Acta Crystallographica Section C 50(2) (1994) 185-188
277,834
2022-09-14
16:39:43
#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/94/2009498.cif $ #-------------------------------------------------------------------...
2,009,499
13.325
0.002
17.26
0.002
7.114
0.001
90
null
90
null
90
null
1,636.1
0.4
120
1
120
1
null
null
null
null
4
P n m a
-P 2ac 2n
62
Ethylene-1,2-bis(η^5^-2-indenyl)titanium (IV) dichloride
- C20 H16 Cl2 Ti -
- C20 H16 Cl2 Ti -
- C80 H64 Cl8 Ti4 -
4
0.5
ST1073
Parkin, Sean; Hitchcock, Shawn R.; Hope, Hakon; Nantz, Michael H.
2,2'-Ethylenebis(η^5^-indenyl)TiCl~2~
Acta Crystallographica Section C
1,994
50
2
169
171
10.1107/S0108270193007851
1.54178
CuKα
0.0436
0.0415
null
0.0946
0.0939
null
null
null
1.191
1.198
1.198
null
null
null
has coordinates,has disorder
Parkin, Sean; Hitchcock, Shawn R.; Hope, Hakon; Nantz, Michael H. 2,2'-Ethylenebis(η^5^-indenyl)TiCl~2~ Acta Crystallographica Section C 50(2) (1994) 169-171
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/2/00/94/2009499.cif $ #-------------------------------------------------------------------...
2,009,500
4.9983
0.0007
4.9983
0.0007
25.502
0.005
90
null
90
null
90
null
637.12
0.18
295
null
null
null
null
null
null
null
3
I 4/m m m
-I 4 2
null
- Ba3 S7 Zr2 -
- Ba3 S7 Zr2 -
- Ba6 S14 Zr4 -
2
0.0625
ST1076
Chen, Bai-Hao; Eichhorn, Bryan; Wong-Ng, Winnie
Structural reinvestigation of Ba~3~Zr~2~S~7~ by single-crystal X-ray diffraction
Acta Crystallographica Section C
1,994
50
2
161
164
10.1107/S0108270193008972
0.71073
MoKα
null
0.054
null
null
0.063
null
null
null
null
1.83
1.83
null
null
null
has coordinates
Chen, Bai-Hao; Eichhorn, Bryan; Wong-Ng, Winnie Structural reinvestigation of Ba~3~Zr~2~S~7~ by single-crystal X-ray diffraction Acta Crystallographica Section C 50(2) (1994) 161-164
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/2/00/95/2009500.cif $ #-------------------------------------------------------------------...
4,321,830
17.824
0.005
17.824
0.005
8.558
0.003
90
null
90
null
90
null
2,718.8
1.4
296.2
null
296.2
null
null
null
null
null
5
P -4 21 c
P -4 2n
114
- C10 H15 Ag S3 W -
- C10 H15 Ag S3 W -
- C80 H120 Ag8 S24 W8 -
8
1
Jian-Ping Lang; Kazuyuki Tatsumi
Aggregation of the Half-Sandwich Trisulfido Complex of Tungsten with Silver Ions: Synthesis of a Cyanide-Bridged Helical Polymer {[(η5-C5Me5)WS3]2Ag3(CN)}∞and a Cyclic Cluster [(η5-C5Me5)WS3Ag]4
Inorganic Chemistry
1,999
38
1364
1367
10.1021/ic980883j
0.7107
MoKα
0
0
null
null
0
0.0732
null
null
null
null
null
2.45
null
null
has coordinates
Jian-Ping Lang; Kazuyuki Tatsumi Aggregation of the Half-Sandwich Trisulfido Complex of Tungsten with Silver Ions: Synthesis of a Cyanide-Bridged Helical Polymer {[(η5-C5Me5)WS3]2Ag3(CN)}∞and a Cyclic Cluster [(η5-C5Me5)WS3Ag]4 Inorganic Chemistry 38 (1999) 1364-1367
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321830.cif $ #-------------------------------------------------------------------...
2,009,501
9.306
0.002
9.184
0.002
18.506
0.004
90
0.02
103.19
0.02
90
0.02
1,539.9
0.6
294
null
null
null
null
null
null
null
2
C 1 2/c 1
-C 2yc
15
- C20 H30 -
- C20 H30 -
- C80 H120 -
4
0.5
ST1078
Mielke, Karsten; Fry, James L.; Finnen, Daniel C.; Pinkerton, A. Alan
2,2'-Biadamantane
Acta Crystallographica Section C
1,994
50
2
267
269
10.1107/S0108270193008170
0.71073
MoKα
null
0.037
null
null
0.05
null
null
null
null
1.514
1.514
null
null
null
has coordinates
Mielke, Karsten; Fry, James L.; Finnen, Daniel C.; Pinkerton, A. Alan 2,2'-Biadamantane Acta Crystallographica Section C 50(2) (1994) 267-269
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009501.cif $ #-------------------------------------------------------------------...
2,009,502
8.651
0.004
19.133
0.019
10.832
0.006
90
null
99.76
0.04
90
null
1,767
2
295
null
null
null
null
null
null
null
5
P 1 21 1
null
- C35 H43 N2 O9 P -
- C36 H48 N2 O9 P -
- C72 H96 N4 O18 P2 -
2
1
ST1082
Capron, Mark A.; McEldoon, Wenkui L.; Baenziger, Norman C.; Wiemer, David F.
Structure of a modified nucleoside, 3'α-diethylphosphono-3'β-hydroxy-5'-<i>O</i>-tritylthymidine
Acta Crystallographica Section C
1,994
50
2
291
294
10.1107/S0108270193008662
0.71073
MoKα
null
0.066
null
null
0.097
null
null
null
null
1.14
1.14
null
null
null
has coordinates
Capron, Mark A.; McEldoon, Wenkui L.; Baenziger, Norman C.; Wiemer, David F. Structure of a modified nucleoside, 3'α-diethylphosphono-3'β-hydroxy-5'-<i>O</i>-tritylthymidine Acta Crystallographica Section C 50(2) (1994) 291-294
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/2/00/95/2009502.cif $ #-------------------------------------------------------------------...
2,009,503
6.502
0.008
9.682
0.005
28.629
0.003
90
null
90
null
90
null
1,802
2
295
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C16 H28 N4 O3 -
- C16 H28 N4 O3 -
- C64 H112 N16 O12 -
4
1
VJ1000
Di Blasio, B.; Nastri, F.; Saviano, M.; Benedetti, E.; Crisma, M.; Toniolo, C.; Johnson, R.L.
Structure of the tripeptide amide H-<small>L</small>-Pro-<small>L</small>-Leu-<small>L</small>-Pro-NH~2~, a dopamine receptor modulating agent
Acta Crystallographica Section C
1,994
50
2
250
252
10.1107/S0108270193006808
1.5418
CuKα
null
0.042
null
null
0.043
null
null
null
null
0.672
0.672
null
null
null
has coordinates
Di Blasio, B.; Nastri, F.; Saviano, M.; Benedetti, E.; Crisma, M.; Toniolo, C.; Johnson, R.L. Structure of the tripeptide amide H-<small>L</small>-Pro-<small>L</small>-Leu-<small>L</small>-Pro-NH~2~, a dopamine receptor modulating agent Acta Crystallographica Section C 50(2) (1994) 250-252
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009503.cif $ #-------------------------------------------------------------------...
2,009,504
11.592
0.001
8.031
0.002
15.597
0.001
90
null
109.32
0.02
90
null
1,370.2
0.4
293
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- C29 H34 O11 -
- C29 H34 O11 -
- C58 H68 O22 -
2
1
AB1044
Sekar, K.; Parthasarathy, S.; Mathuram, V.
Structure of trijugin A
Acta Crystallographica Section C
1,994
50
3
460
462
10.1107/S0108270193008431
1.5418
CuKα
null
0.042
null
null
0.05
null
null
null
null
1.089
1.089
null
null
null
has coordinates
Sekar, K.; Parthasarathy, S.; Mathuram, V. Structure of trijugin A Acta Crystallographica Section C 50(3) (1994) 460-462
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009504.cif $ #-------------------------------------------------------------------...
2,009,505
8.952
0.005
21.979
0.004
15.709
0.003
90
null
90
null
90
null
3,090.8
1.9
293
null
null
null
null
null
null
null
5
P c a b
-P 2bc 2ac
61
- C18 H15 N O3 S -
- C18 H15 N O3 S -
- C144 H120 N8 O24 S8 -
8
1
AB1076
Hökelek, T.; Patir, S.; Gülce, A.; Okay, G.
Structural investigations of 1,2,3,4-tetrahydrocarbazole derivatives. I. 2,3-Dihydro-9-(phenylsulfonyl)carbazole-4(1<i>H</i>)-one and 1,2,3,4-tetrahydrocarbazole-1-spiro-2'-[1,3]dithiolane
Acta Crystallographica Section C
1,994
50
3
450
453
10.1107/S0108270193007516
0.71069
MoKα
null
0.033
null
null
0.032
null
null
null
null
null
null
null
null
null
has coordinates
Hökelek, T.; Patir, S.; Gülce, A.; Okay, G. Structural investigations of 1,2,3,4-tetrahydrocarbazole derivatives. I. 2,3-Dihydro-9-(phenylsulfonyl)carbazole-4(1<i>H</i>)-one and 1,2,3,4-tetrahydrocarbazole-1-spiro-2'-[1,3]dithiolane Acta Crystallographica Section C 50(3) (1994) 450-453
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009505.cif $ #-------------------------------------------------------------------...
4,321,829
15.415
0.005
9.616
0.006
21.659
0.004
90
null
109.91
0.02
90
null
3,019
2
296.2
null
296.2
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C21 H30 Ag3 N S6 W2 -
- C21 H30 Ag3 N S6 W2 -
- C84 H120 Ag12 N4 S24 W8 -
4
1
Jian-Ping Lang; Kazuyuki Tatsumi
Aggregation of the Half-Sandwich Trisulfido Complex of Tungsten with Silver Ions: Synthesis of a Cyanide-Bridged Helical Polymer {[(η5-C5Me5)WS3]2Ag3(CN)}∞and a Cyclic Cluster [(η5-C5Me5)WS3Ag]4
Inorganic Chemistry
1,999
38
1364
1367
10.1021/ic980883j
0.7107
MoKα
0
0
null
null
0
0.0542
null
null
null
null
null
1.526
null
null
has coordinates
Jian-Ping Lang; Kazuyuki Tatsumi Aggregation of the Half-Sandwich Trisulfido Complex of Tungsten with Silver Ions: Synthesis of a Cyanide-Bridged Helical Polymer {[(η5-C5Me5)WS3]2Ag3(CN)}∞and a Cyclic Cluster [(η5-C5Me5)WS3Ag]4 Inorganic Chemistry 38 (1999) 1364-1367
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321829.cif $ #-------------------------------------------------------------------...
2,009,506
9.715
0.002
6.721
0.002
19.854
0.008
90
null
91.29
0.03
90
null
1,296
0.7
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C14 H15 N S2 -
- C14 H15 N S2 -
- C56 H60 N4 S8 -
4
1
AB1076
Hökelek, T.; Patir, S.; Gülce, A.; Okay, G.
Structural investigations of 1,2,3,4-tetrahydrocarbazole derivatives. I. 2,3-Dihydro-9-(phenylsulfonyl)carbazole-4(1<i>H</i>)-one and 1,2,3,4-tetrahydrocarbazole-1-spiro-2'-[1,3]dithiolane
Acta Crystallographica Section C
1,994
50
3
450
453
10.1107/S0108270193007516
1.5418
CuKα
null
0.054
null
null
0.067
null
null
null
null
null
null
null
null
null
has coordinates
Hökelek, T.; Patir, S.; Gülce, A.; Okay, G. Structural investigations of 1,2,3,4-tetrahydrocarbazole derivatives. I. 2,3-Dihydro-9-(phenylsulfonyl)carbazole-4(1<i>H</i>)-one and 1,2,3,4-tetrahydrocarbazole-1-spiro-2'-[1,3]dithiolane Acta Crystallographica Section C 50(3) (1994) 450-453
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009506.cif $ #-------------------------------------------------------------------...
2,009,507
11.933
0.002
16.4
0.003
9.471
0.003
92.2
0.02
118.15
0.02
93.85
0.03
1,625.4
0.7
293
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C14 H21 Cl9 N6 O P6 -
- C14 H20 Cl9 N6 O P6 -
- C28 H40 Cl18 N12 O2 P12 -
2
1
AB1081
Hökelek, T.; Kiliç, Z.; Kiliç, A.
2-(2,6-Di-<i>tert</i>-butylphenoxy)-2',4,4,4',4',6,6,6',6'-nonachloro-2,2'-bi(cyclotri-λ^5^-phosphazene)
Acta Crystallographica Section C
1,994
50
3
453
456
10.1107/S0108270193008443
1.5418
CuKα
null
0.061
null
null
0.069
null
null
null
null
null
null
null
null
null
has coordinates
Hökelek, T.; Kiliç, Z.; Kiliç, A. 2-(2,6-Di-<i>tert</i>-butylphenoxy)-2',4,4,4',4',6,6,6',6'-nonachloro-2,2'-bi(cyclotri-λ^5^-phosphazene) Acta Crystallographica Section C 50(3) (1994) 453-456
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/95/2009507.cif $ #-------------------------------------------------------------------...
2,009,508
10.0464
0.0008
5.8561
0.0004
14.8215
0.0013
90
null
103.629
0.012
90
null
847.44
0.12
30
null
30
null
null
null
null
null
4
A 1 2/a 1
-A 2ya
15
Tripotassium hydrogenbis(selenate)
- H K3 O8 Se2 -
- H2 K3 O8 Se2 -
- H8 K12 O32 Se8 -
4
0.5
AB1083
Ichikawa, Mizuhiko; Gustafsson, Torbjörn; Olovsson, Ivar
K~3~H(SeO~4~)~2~ at 297 and 30 K
Acta Crystallographica Section C
1,994
50
3
330
332
10.1107/S0108270193009709
0.71073
MoKα
0.0557
0.0549
null
null
0.0648
null
null
null
null
1.41
1.41
null
null
null
has coordinates
Ichikawa, Mizuhiko; Gustafsson, Torbjörn; Olovsson, Ivar K~3~H(SeO~4~)~2~ at 297 and 30 K Acta Crystallographica Section C 50(3) (1994) 330-332
176,435
2020-10-21
18:00:00
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2,009,509
10.1325
0.0005
5.9042
0.0003
14.962
0.0007
90
null
103.638
0.007
90
null
869.85
0.08
297
null
297
null
null
null
null
null
4
A 1 2/a 1
-A 2ya
15
Tripotassium hydrogenbis(selenate)
- H K3 O8 Se2 -
- H2 K3 O8 Se2 -
- H8 K12 O32 Se8 -
4
0.5
AB1083
Ichikawa, Mizuhiko; Gustafsson, Torbjörn; Olovsson, Ivar
K~3~H(SeO~4~)~2~ at 297 and 30 K
Acta Crystallographica Section C
1,994
50
3
330
332
10.1107/S0108270193009709
0.71073
MoKα
null
0.0855
null
null
0.0561
null
null
null
null
1.2
1.2
null
null
null
has coordinates
Ichikawa, Mizuhiko; Gustafsson, Torbjörn; Olovsson, Ivar K~3~H(SeO~4~)~2~ at 297 and 30 K Acta Crystallographica Section C 50(3) (1994) 330-332
176,435
2020-10-21
18:00:00
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4,321,828
8.187
0.005
17.193
0.004
10.9
0.003
90
null
109.68
0.04
90
null
1,444.7
1.1
295
null
295
null
null
null
null
null
?
6
P 1 21/m 1
-P 2yb
11
- C27 H40 B F4 Ir O6 -
- C27 B F4 Ir O6 -
- C54 B2 F8 Ir2 O12 -
2
0.5
H. Amouri; J. Vaissermann; M. N. Rager; Y. Besace
Unusual Me-O Bond Cleavage in a Metalated Crown-Ether: X-ray Molecular Structure of (5-Methoxy-4,6-dimethyl-1,3-xylylene-2-one)-15 Crown-4 Complex of Pentamethylcyclopentadienyl Iridium
Inorganic Chemistry
1,999
38
1211
1215
10.1021/ic980811s
0.71069
MoKα
null
0.0356
null
null
0.0433
null
null
null
null
3.8
3.8
null
null
null
has coordinates
H. Amouri; J. Vaissermann; M. N. Rager; Y. Besace Unusual Me-O Bond Cleavage in a Metalated Crown-Ether: X-ray Molecular Structure of (5-Methoxy-4,6-dimethyl-1,3-xylylene-2-one)-15 Crown-4 Complex of Pentamethylcyclopentadienyl Iridium Inorganic Chemistry 38 (1999) 1211-1215
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321828.cif $ #-------------------------------------------------------------------...
2,009,510
11.6712
0.001
18.4964
0.001
15.406
0.001
90
null
113.66
0.01
90
null
3,046.2
0.4
150
null
150
null
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
(2,2'-biquinoline)chloro(2,2':6',2"-terpyridine)ruthenium(II)
- C33 H23 Cl F6 N5 P Ru -
- C33 H23 Cl F6 N5 P Ru -
- C132 H92 Cl4 F24 N20 P4 Ru4 -
4
1
AB1107
Spek, Anthony L.; Gerli, Alessandra; Reedijk, Jan
(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')chloro(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) hexafluorophosphate, [RuCl(C~18~H~12~N~2~)(C~15~H~11~N~3~)][PF~6~]
Acta Crystallographica Section C
1,994
50
3
394
397
10.1107/S0108270193010236
0.71073
MoKα
null
0.067
null
null
0.066
null
null
null
null
3.79
3.79
null
null
null
has coordinates
Spek, Anthony L.; Gerli, Alessandra; Reedijk, Jan (2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')chloro(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) hexafluorophosphate, [RuCl(C~18~H~12~N~2~)(C~15~H~11~N~3~)][PF~6~] Acta Crystallographica Section C 50(3) (1994) 394-397
176,759
2020-10-21
18:00:00
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2,009,511
19.646
0.002
6.149
0.001
11.466
0.002
90
null
95.25
0.01
90
null
1,379.3
0.4
295
null
295
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
1-t-Butyl-(t-butylamino)-2-methylidene)-3-pyrrolidinone
- C13 H24 N2 O -
- C13 H24 N2 O -
- C52 H96 N8 O4 -
4
1
AB1111
Spek, Anthony L.; Janssen, Maurits D.; Wissing, Elmo; Van Koten, G.
1-<i>tert</i>-Butyl-2-(<i>tert</i>-butylaminomethylidene)-3-pyrrolidinone, C~13~H~24~N~2~O
Acta Crystallographica Section C
1,994
50
3
410
411
10.1107/S0108270193010248
0.71073
MoKα
null
0.0555
null
null
0.0478
null
null
null
null
0.62
0.62
null
null
null
has coordinates
Spek, Anthony L.; Janssen, Maurits D.; Wissing, Elmo; Van Koten, G. 1-<i>tert</i>-Butyl-2-(<i>tert</i>-butylaminomethylidene)-3-pyrrolidinone, C~13~H~24~N~2~O Acta Crystallographica Section C 50(3) (1994) 410-411
301,791
2025-08-18
23:15:34
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2,009,512
11.282
0.004
18.801
0.004
20.592
0.006
90
null
94.19
0.03
90
null
4,356
2
293
null
null
null
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C40 H50 F6 Ir N O9 P2 -
- C40 H50 F6 Ir N O9 P2 -
- C160 H200 F24 Ir4 N4 O36 P8 -
4
1
AL1063
Bedford, R.B.; Chaloner, P.A.; Hitchcock, P.B.; Al-Juaid, S.S.
An iridium complex of tris(2,4,6-trimethoxyphenyl)phosphine
Acta Crystallographica Section C
1,994
50
3
356
358
10.1107/S0108270193009424
0.71069
MoKα
null
0.035
null
null
0.039
null
null
null
null
1.46
1.46
null
null
null
has coordinates
Bedford, R.B.; Chaloner, P.A.; Hitchcock, P.B.; Al-Juaid, S.S. An iridium complex of tris(2,4,6-trimethoxyphenyl)phosphine Acta Crystallographica Section C 50(3) (1994) 356-358
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009512.cif $ #-------------------------------------------------------------------...
2,009,513
24.842
0.005
22.471
0.004
24.656
0.005
90
null
111.16
0.03
90
null
12,836
5
153
2
153
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
hexakis(2,4,6-tris(trifluoromethyl)phenyl)-cyclotristannoxane
- C54 H12 F54 O3 Sn3 -
- C54 H12 F54 O3 Sn3 -
- C432 H96 F432 O24 Sn24 -
8
2
AL1066
Van der Maelen Uría, Juan F.; Belay, Maekele; Edelmann, Frank T.; Sheldrick, George M.
{Hexakis[2,4,6-tris(trifluoromethyl)phenyl]cyclotristannoxane}~2~
Acta Crystallographica Section C
1,994
50
3
403
407
10.1107/S0108270193008455
0.71073
MoKα
0.0594
0.0456
null
0.1227
0.1141
null
null
null
1.035
1.074
1.074
null
null
null
has coordinates,has disorder
Van der Maelen Uría, Juan F.; Belay, Maekele; Edelmann, Frank T.; Sheldrick, George M. {Hexakis[2,4,6-tris(trifluoromethyl)phenyl]cyclotristannoxane}~2~ Acta Crystallographica Section C 50(3) (1994) 403-407
176,759
2020-10-21
18:00:00
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2,009,514
9.507
0.002
9.865
0.002
13.262
0.003
98.774
0.014
93.82
0.02
97.97
0.02
1,212.5
0.5
295
2
295
2
null
null
null
null
5
P -1
-P 1
2
(N,N,N',N'-tetrakis(pyrazol-1ylmethyl)-1,2-diaminoethane)-disilver(I) dinitrate ?
- C18 H24 Ag2 N12 O6 -
- C18 H24 Ag2 N12 O6 -
- C36 H48 Ag4 N24 O12 -
2
1
AL1072
Clegg, William; Cooper, Paul J.; Lockhart, Joyce C.; Rushton, David J.
A binuclear silver complex of a tetrapyrazolyl ligand
Acta Crystallographica Section C
1,994
50
3
383
386
10.1107/S0108270193009400
0.71073
MoKα
0.0536
0.0399
null
0.1138
0.0945
null
null
null
1.072
1.058
1.058
null
null
null
has coordinates
Clegg, William; Cooper, Paul J.; Lockhart, Joyce C.; Rushton, David J. A binuclear silver complex of a tetrapyrazolyl ligand Acta Crystallographica Section C 50(3) (1994) 383-386
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/2/00/95/2009514.cif $ #-------------------------------------------------------------------...
2,009,515
12.434
0.002
10.244
0.002
11.134
0.002
90
null
100.851
0.014
90
null
1,392.8
0.4
295
2
295
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C13 H13 Br Cl2 O2 -
- C13 H13 Br Cl2 O2 -
- C52 H52 Br4 Cl8 O8 -
4
1
AL1073
Brown, Philip E.; Clegg, William; Steele, John E.
Structure of a cyclopropachromene
Acta Crystallographica Section C
1,994
50
3
424
425
10.1107/S0108270193009436
1.54184
CuKα
0.0426
0.0414
null
0.1213
0.1196
null
null
null
1.105
1.121
1.121
null
null
null
has coordinates
Brown, Philip E.; Clegg, William; Steele, John E. Structure of a cyclopropachromene Acta Crystallographica Section C 50(3) (1994) 424-425
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009515.cif $ #-------------------------------------------------------------------...
2,009,516
3.4185
0.0001
3.4185
0.0001
25.463
0.003
90
null
90
null
120
null
257.7
0.03
295
null
null
null
null
null
null
null
4
R -3 m
-R 3 2"
null
- Fe Lu O4 Zn -
- Fe Lu O4 Zn -
- Fe3 Lu3 O12 Zn3 -
3
null
AS1025
Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.
Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6)
Acta Crystallographica Section C
1,994
50
3
332
336
10.1107/S0108270193008108
0.71073
MoKα
null
0.036
null
null
0.036
null
null
null
null
2.3
2.3
null
null
null
has coordinates
Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T. Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6) Acta Crystallographica Section C 50(3) (1994) 332-336
176,435
2020-10-21
18:00:00
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4,321,827
10.0295
0.0005
26.3564
0.0013
14.1032
0.0007
90
null
94.6914
0.001
90
null
3,715.6
0.3
153
2
293
2
null
null
null
null
7
P 1 21 1
P 2yb
4
[PPN]~2~[Fe~2~(CO)~6~(μ-SO~2~)~2~]
Di-(Bis-triphenylphosphonium iminium)(hexacarbonyl μ-sulfur dioxide diferrate)
- C80 H63 Fe2 N3 O10 P4 S2 -
- C80 H63 Fe2 N3 O10 P4 S2 -
- C160 H126 Fe4 N6 O20 P8 S4 -
2
1
Randal W. Eveland; Casey C. Raymond; T. E. Albrecht-Schmitt; Duward F. Shriver
New SO~2~ Iron-Containing Cluster Compounds [PPN]~2~[Fe~3~(CO)~9~(μ~3~,η^2^-SO~2~)], [PPN]~2~[Fe~3~(CO)~8~(μ-SO2)μ~3~-S], [PPN]~2~[Fe~3~(CO)~8~(μ-SO~2~)(μ~3~-CCO)], and [PPN]~2~[Fe~2~(CO)~6~(μ-SO~2~)~2~] From Heterometal Precursors.
Inorganic Chemistry
1,999
38
1282
1287
10.1021/ic980762j
0.71069
MoKα
0.0889
0.0663
null
null
0.1717
0.1825
null
null
null
null
null
0.996
null
null
has coordinates
Randal W. Eveland; Casey C. Raymond; T. E. Albrecht-Schmitt; Duward F. Shriver New SO~2~ Iron-Containing Cluster Compounds [PPN]~2~[Fe~3~(CO)~9~(μ~3~,η^2^-SO~2~)], [PPN]~2~[Fe~3~(CO)~8~(μ-SO2)μ~3~-S], [PPN]~2~[Fe~3~(CO)~8~(μ-SO~2~)(μ~3~-CCO)], and [PPN]~2~[Fe~2~(CO)~6~(μ-SO~2~)~2~] From Heterometal Precursors. Inorgani...
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321827.cif $ #-------------------------------------------------------------------...
2,009,517
3.3406
0.0001
3.3406
0.0001
32.51
0.02
90
null
90
null
120
null
314.19
0.19
295
null
null
null
null
null
null
null
4
P 63/m m c
-P 6c 2c
null
- Fe Lu O7 Zn4 -
- Fe0.5 Lu O7 Zn4.5 -
- Fe Lu2 O14 Zn9 -
2
0.083333
AS1025
Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.
Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6)
Acta Crystallographica Section C
1,994
50
3
332
336
10.1107/S0108270193008108
0.71073
MoKα
null
0.05
null
null
0.057
null
null
null
null
2.6
2.6
null
null
null
has coordinates
Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T. Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6) Acta Crystallographica Section C 50(3) (1994) 332-336
176,759
2020-10-21
18:00:00
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2,009,518
3.3291
0.0001
3.3291
0.0001
56.56
0.02
90
null
90
null
120
null
542.87
0.19
295
null
null
null
null
null
null
null
4
R -3 m
-R 3 2"
null
- Fe Lu O8 Zn5 -
- Fe Lu O8 Zn5 -
- Fe3 Lu3 O24 Zn15 -
3
null
AS1025
Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.
Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6)
Acta Crystallographica Section C
1,994
50
3
332
336
10.1107/S0108270193008108
0.71073
MoKα
null
0.046
null
null
0.053
null
null
null
null
4.2
4.2
null
null
null
has coordinates
Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T. Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6) Acta Crystallographica Section C 50(3) (1994) 332-336
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/2/00/95/2009518.cif $ #-------------------------------------------------------------------...
2,009,519
15.773
0.009
12.402
0.015
12.989
0.006
90
null
102.72
0.06
90
null
2,479
4
293
null
null
null
null
null
null
null
5
C 1 2 1
C 2y
null
- C36 H55 N8 O8 S2 -
- C37 H52 N8 O11 S2 -
- C74 H104 N16 O22 S4 -
2
0.5
AS1063
In, Y.; Doi, M.; Inoue, M.; Ishida, T.; Hamada, Y.; Shioiri, T.
Patellamide A, a cytotoxic cyclic peptide from the ascidian <i>Lissoclinum patella</i>
Acta Crystallographica Section C
1,994
50
3
432
434
10.1107/S010827019300811X
1.5418
CuKα
null
0.064
null
null
0.088
null
null
null
null
0.7885
0.7885
null
null
null
has coordinates
In, Y.; Doi, M.; Inoue, M.; Ishida, T.; Hamada, Y.; Shioiri, T. Patellamide A, a cytotoxic cyclic peptide from the ascidian <i>Lissoclinum patella</i> Acta Crystallographica Section C 50(3) (1994) 432-434
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/2/00/95/2009519.cif $ #-------------------------------------------------------------------...
2,009,520
12.945
0.002
20.212
0.004
12.882
0.003
98.5
0.02
102.19
0.02
101.11
0.02
3,169.7
1.2
296
null
296
null
null
null
null
null
5
P -1
-P 1
2
Hexasodium Trihydrogen Decatungstosamarate Octacosahydrate
- H59 Na6 O64 Sm W10 -
- Na6 O64 Sm W10 -
- Na12 O128 Sm2 W20 -
2
1
AS1081
Ozeki, Tomoji; Yamase, Toshihiro
Hexasodium trihydrogen decatungstosamarate octacosahydrate
Acta Crystallographica Section C
1,994
50
3
327
330
10.1107/S0108270193009965
0.71069
MoKα
null
0.049
null
null
0.06
null
null
null
null
1.76
1.76
null
null
null
has coordinates
Ozeki, Tomoji; Yamase, Toshihiro Hexasodium trihydrogen decatungstosamarate octacosahydrate Acta Crystallographica Section C 50(3) (1994) 327-330
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/2/00/95/2009520.cif $ #-------------------------------------------------------------------...
2,009,521
8.413
0.005
16.859
0.008
19.184
0.003
94.08
0.04
96.59
0.04
91.44
0.04
2,695
2
225
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C55 H66 Cl3 D I2 Sn2 -
- C55 H47 Cl3 D I2 Sn2 -
- C110 H94 Cl6 D2 I4 Sn4 -
2
1
BR1044
Simard, M.G.; Wharf, I.
Comparison of the structures of two trimesityltin iodide solvates and triphenyltin iodide
Acta Crystallographica Section C
1,994
50
3
397
403
10.1107/S0108270193008935
0.71073
MoKᾱ
null
0.045
null
null
0.052
null
null
null
null
3
3
null
null
null
has coordinates
Simard, M.G.; Wharf, I. Comparison of the structures of two trimesityltin iodide solvates and triphenyltin iodide Acta Crystallographica Section C 50(3) (1994) 397-403
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/95/2009521.cif $ #-------------------------------------------------------------------...
2,009,522
8.6431
0.0013
16.823
0.002
19.97
0.002
77.738
0.011
84.234
0.011
89.421
0.012
2,822.9
0.6
295
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C61 H74 I2 Sn2 -
- C68 H82 I2 Sn2 -
- C136 H164 I4 Sn4 -
2
1
BR1044
Simard, M.G.; Wharf, I.
Comparison of the structures of two trimesityltin iodide solvates and triphenyltin iodide
Acta Crystallographica Section C
1,994
50
3
397
403
10.1107/S0108270193008935
null
MoKᾱ
null
0.068
null
null
0.079
null
null
null
null
2.28
2.28
null
null
null
has coordinates
Simard, M.G.; Wharf, I. Comparison of the structures of two trimesityltin iodide solvates and triphenyltin iodide Acta Crystallographica Section C 50(3) (1994) 397-403
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/95/2009522.cif $ #-------------------------------------------------------------------...
2,009,523
9.8737
0.0012
9.9216
0.0016
18.799
0.003
83.928
0.014
78.372
0.012
76.748
0.011
1,752.3
0.5
295
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C18 H15 I Sn -
- C18 H15 I Sn -
- C72 H60 I4 Sn4 -
4
2
BR1044
Simard, M.G.; Wharf, I.
Comparison of the structures of two trimesityltin iodide solvates and triphenyltin iodide
Acta Crystallographica Section C
1,994
50
3
397
403
10.1107/S0108270193008935
1.54108
CuKᾱ
null
0.037
null
null
0.039
null
null
null
null
1.62
1.62
null
null
null
has coordinates
Simard, M.G.; Wharf, I. Comparison of the structures of two trimesityltin iodide solvates and triphenyltin iodide Acta Crystallographica Section C 50(3) (1994) 397-403
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/95/2009523.cif $ #-------------------------------------------------------------------...
2,009,524
9.805
0.006
19.88
0.006
13.353
0.003
90
null
124.48
0.03
90
null
2,145.6
1.5
295
null
null
null
null
null
null
null
5
P 21/c
-P 2ybc
null
- C21 H21 I O3 Sn -
4
null
Simard, M. G.; Wharf, I.
A Comparison of the Structures of Two Trimesityltin Iodide Solvates and Triphenyltin Iodide
Acta Crystallographica Section C
1,994
50
3
397
403
10.1107/S0108270193008935
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Simard, M. G.; Wharf, I. A Comparison of the Structures of Two Trimesityltin Iodide Solvates and Triphenyltin Iodide Acta Crystallographica Section C 50(3) (1994) 397-403
278,158
2022-09-26
15:28:11
#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009524.cif $ #-------------------------------------------------------------------...
2,009,525
8.1
0.002
31.729
0.005
7.848
0.003
90
null
90
null
90
null
2,017
1
294
null
294
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
Dimethyl 9-phenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate
- C26 H20 O4 -
- C26 H20 O4 -
- C104 H80 O16 -
4
1
BR1057
Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James
Dimethyl 9-phenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate
Acta Crystallographica Section C
1,994
50
3
415
417
10.1107/S0108270193010054
1.5418
CopperKα
0.061
0.04
null
0.057
0.056
null
null
null
null
1.81
1.81
null
null
null
has coordinates
Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James Dimethyl 9-phenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section C 50(3) (1994) 415-417
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009525.cif $ #-------------------------------------------------------------------...
4,321,826
29.7648
0.0003
14.6496
0.0001
21.762
0.0003
90
null
123.397
0.001
90
null
7,922.27
0.17
298
2
298
2
null
null
null
null
8
C 1 c 1
C -2yc
9
[PPN]~2~[Fe~3~(CO)~9~(μ~3~,η^2^-SO~2~)]
Di-(Bis-triphenylphosphonium iminium)(nona-carbonyl-μ~3~,η^2^-sulfur dioxide tri-ferrate)
- C81.5 H61 Cl Fe3 N2 O11 P4 S -
- C81.5 H61 Cl Fe3 N2 O11 P4 S -
- C326 H244 Cl4 Fe12 N8 O44 P16 S4 -
4
1
Randal W. Eveland; Casey C. Raymond; T. E. Albrecht-Schmitt; Duward F. Shriver
New SO~2~ Iron-Containing Cluster Compounds [PPN]~2~[Fe~3~(CO)~9~(μ~3~,η^2^-SO~2~)], [PPN]~2~[Fe~3~(CO)~8~(μ-SO2)μ~3~-S], [PPN]~2~[Fe~3~(CO)~8~(μ-SO~2~)(μ~3~-CCO)], and [PPN]~2~[Fe~2~(CO)~6~(μ-SO~2~)~2~] From Heterometal Precursors.
Inorganic Chemistry
1,999
38
1282
1287
10.1021/ic980762j
0.71073
MoKα
0.0656
0.0505
null
0.125
0.118
null
null
null
1.432
1.51
1.51
null
null
null
has coordinates
Randal W. Eveland; Casey C. Raymond; T. E. Albrecht-Schmitt; Duward F. Shriver New SO~2~ Iron-Containing Cluster Compounds [PPN]~2~[Fe~3~(CO)~9~(μ~3~,η^2^-SO~2~)], [PPN]~2~[Fe~3~(CO)~8~(μ-SO2)μ~3~-S], [PPN]~2~[Fe~3~(CO)~8~(μ-SO~2~)(μ~3~-CCO)], and [PPN]~2~[Fe~2~(CO)~6~(μ-SO~2~)~2~] From Heterometal Precursors. Inorgani...
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321826.cif $ #-------------------------------------------------------------------...
2,009,526
6.6289
0.0005
12.5448
0.0014
49.81
0.004
90
null
90.068
0.006
90
null
4,142.1
0.6
294
1
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
(20R,23S,24R)-5α-dinosteran-29-ol
- C30 H54 O -
- C30 H53 O -
- C180 H318 O6 -
6
3
CR1061
Brock, Carolyn Pratt; Stoilov, Ivan; Watt, David S.
A steroid derivative that crystallizes with three molecules in the asymmetric unit
Acta Crystallographica Section C
1,994
50
3
434
438
10.1107/S0108270193009230
0.7107
MoKα
null
0.075
null
null
0.068
null
null
null
null
2.62
2.62
null
null
null
has coordinates
Brock, Carolyn Pratt; Stoilov, Ivan; Watt, David S. A steroid derivative that crystallizes with three molecules in the asymmetric unit Acta Crystallographica Section C 50(3) (1994) 434-438
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/2/00/95/2009526.cif $ #-------------------------------------------------------------------...
2,009,527
20.935
0.003
22.391
0.003
9.756
0.003
90
null
90
null
90
null
4,573.2
1.7
293
null
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
null
- C23 H20 Br3 N3 O2 -
- C23 H20 Br3 N3 O2 -
- C184 H160 Br24 N24 O16 -
8
1
CR1063
Jircitano, A.J.; Sommerer, S.O.; Shelley, J.J.; Westcott, B.L.; Suh, Il-Hwan
The self-condensation of a derivative of <i>o</i>-aminobenzaldehyde. Structure of the polycyclic bisanhydro trimer of 2-amino-5-bromobenzaldehyde
Acta Crystallographica Section C
1,994
50
3
445
447
10.1107/S0108270193006894
0.71069
MoKα
null
0.083
null
null
0.0895
null
null
null
null
0.9352
0.9352
null
null
null
has coordinates
Jircitano, A.J.; Sommerer, S.O.; Shelley, J.J.; Westcott, B.L.; Suh, Il-Hwan The self-condensation of a derivative of <i>o</i>-aminobenzaldehyde. Structure of the polycyclic bisanhydro trimer of 2-amino-5-bromobenzaldehyde Acta Crystallographica Section C 50(3) (1994) 445-447
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009527.cif $ #-------------------------------------------------------------------...
2,009,528
8.866
0.001
9.534
0.001
9.245
0.001
90
null
92.92
0.01
90
null
780.45
0.15
296
null
296
null
null
null
null
null
5
P 1 21 1
null
(4aR,8R,SR)-4a-Hydroxy-8-(p-tolylsulfinyl)- 2,3,4,4a,5,6,7,8-octahydroquinoline
- C16 H21 N O2 S -
- C16 H21 N O2 S -
- C32 H42 N2 O4 S2 -
2
1
CR1077
Robinson, Paul D.; Hua, Duy H.; Wang, Hui; Chen, Jin Shan; Good, Linda A.
(4a<i>R</i>,8<i>R</i>,S<i>R</i>)-8-(<i>p</i>-Tolylsulfinyl)-2,3,4,4a,5,6,7,8-octahydro-4a-quinolinol
Acta Crystallographica Section C
1,994
50
3
425
428
10.1107/S0108270193009321
0.71069
MoKα
null
0.03
null
null
0.035
null
null
null
null
1.4
1.4
null
null
null
has coordinates
Robinson, Paul D.; Hua, Duy H.; Wang, Hui; Chen, Jin Shan; Good, Linda A. (4a<i>R</i>,8<i>R</i>,S<i>R</i>)-8-(<i>p</i>-Tolylsulfinyl)-2,3,4,4a,5,6,7,8-octahydro-4a-quinolinol Acta Crystallographica Section C 50(3) (1994) 425-428
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009528.cif $ #-------------------------------------------------------------------...
2,009,529
10.689
0.001
17.448
0.003
8.976
0.001
90
null
90
null
90
null
1,674
0.4
296
null
296
null
null
null
null
null
4
P c c n
-P 2ab 2ac
56
bis(4-methoxyphenylmethyine)carbonic dihydrazide
- C17 H18 N4 O3 -
- C17 H18 N4 O3 -
- C68 H72 N16 O12 -
4
0.5
CR1083
Kolb, Vera M.; Robinson, Paul D.; Meyers, Cal Y.
Intermolecular hydrogen-bonded structure of bis(4-methoxyphenylmethine)carbonohydrazide
Acta Crystallographica Section C
1,994
50
3
417
419
10.1107/S0108270193010078
0.71069
MoKα
null
0.045
null
null
0.057
null
null
null
null
1.8
1.8
null
null
null
has coordinates
Kolb, Vera M.; Robinson, Paul D.; Meyers, Cal Y. Intermolecular hydrogen-bonded structure of bis(4-methoxyphenylmethine)carbonohydrazide Acta Crystallographica Section C 50(3) (1994) 417-419
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009529.cif $ #-------------------------------------------------------------------...
2,009,530
14.02
0.03
14.02
0.03
12.47
0.03
90
null
90
null
90
null
2,451
9
297
null
null
null
null
null
null
null
6
P 4/n :2
-P 4a
85
- C16 H41 Cl4 Cu N2 O0.5 -
- C16 H41 Cl4 Cu N2 O0.5 -
- C64 H164 Cl16 Cu4 N8 O2 -
4
0.5
DU1030
Mahoui, A.; Lapasset, J.; Moret, J.
Structure du bis(tétraéthylammonium)tétrachlorocuprate(II) hémihydrate, [(C~2~H~5~)~4~N]~2~[CuCl~4~].0,5H~2~O
Acta Crystallographica Section C
1,994
50
3
358
362
10.1107/S0108270193007280
1.5418
Cu
null
0.0573
null
null
0.0595
null
null
null
null
1.689
1.689
null
null
null
has coordinates,has disorder
Mahoui, A.; Lapasset, J.; Moret, J. Structure du bis(tétraéthylammonium)tétrachlorocuprate(II) hémihydrate, [(C~2~H~5~)~4~N]~2~[CuCl~4~].0,5H~2~O Acta Crystallographica Section C 50(3) (1994) 358-362
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009530.cif $ #-------------------------------------------------------------------...
4,321,825
11.8522
0.0005
13.4689
0.0006
25.3911
0.0011
90
null
90
null
90
null
4,053.3
0.3
160
2
160
2
null
null
null
null
7
P 21 21 21
P 2ac 2ab
19
(mu!2$-iodo)-bis(mu!2$-pyrazolate-N,N')-bis(carbonyl-iodo-dimethyl phenylphosphine-rhodium(iii)) pentaiodide
- C24 H28 I8 N4 O2 P2 Rh2 -
- C24 H28 I8 N4 O2 P2 Rh2 -
- C96 H112 I32 N16 O8 P8 Rh8 -
4
1
Cristina Tejel; Marta Bordonaba; Miguel A. Ciriano; Andrew J. Edwards; William Clegg; Fernando J. Lahoz; Luis A. Oro
Oxidative-Addition Reactions of Diiodine to Dinuclear Rhodium Pyrazolate Complexes
Inorganic Chemistry
1,999
38
1108
1117
10.1021/ic980650s
0.71073
MoKα
0.0437
0.0359
null
null
0.0856
0.0896
null
null
null
null
null
1.047
null
null
has coordinates
Cristina Tejel; Marta Bordonaba; Miguel A. Ciriano; Andrew J. Edwards; William Clegg; Fernando J. Lahoz; Luis A. Oro Oxidative-Addition Reactions of Diiodine to Dinuclear Rhodium Pyrazolate Complexes Inorganic Chemistry 38 (1999) 1108-1117
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321825.cif $ #-------------------------------------------------------------------...
2,009,531
9.004
0.008
12.584
0.003
12.798
0.007
69.07
0.04
69.82
0.06
86.08
0.04
1,268.8
1.5
293
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C14 H19 Cl4 Hg4 N O6 -
- C15 H19 Cl4 Hg4 N O6 -
- C30 H38 Cl8 Hg8 N2 O12 -
2
1
DU1049
Toledano, P.; Bonhomme, C.; Henry, M.; Livage, J.
Structure d'un dérivé dimercuré de l'acétoacétate d'éthyle, [Hg~2~(C~6~H~8~O~3~)Cl~2~]~2~.CH~3~CN
Acta Crystallographica Section C
1,994
50
3
365
367
10.1107/S0108270193009333
0.71069
MoKᾱ
null
0.0292
null
null
0.032
null
null
null
null
1.75
1.75
null
null
null
has coordinates
Toledano, P.; Bonhomme, C.; Henry, M.; Livage, J. Structure d'un dérivé dimercuré de l'acétoacétate d'éthyle, [Hg~2~(C~6~H~8~O~3~)Cl~2~]~2~.CH~3~CN Acta Crystallographica Section C 50(3) (1994) 365-367
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/95/2009531.cif $ #-------------------------------------------------------------------...
2,009,532
7.974
0.004
11.96
0.004
16.482
0.008
90
null
90
null
90
null
1,571.9
1.2
294
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C21 H22 N2 O2 -
- C21 H22 N2 O2 -
- C84 H88 N8 O8 -
4
1
HA1064
Beddoes, R.L.; Gorman, A.A.; Prescott, A.L.
Structure of neostrychnine. An enamine with a bridgehead nitrogen which undergoes efficient chemical reaction with singlet oxygen
Acta Crystallographica Section C
1,994
50
3
447
450
10.1107/S0108270193008807
0.71069
MoKα
null
0.068
null
null
0.044
null
null
null
null
1.787
1.787
null
null
null
has coordinates
Beddoes, R.L.; Gorman, A.A.; Prescott, A.L. Structure of neostrychnine. An enamine with a bridgehead nitrogen which undergoes efficient chemical reaction with singlet oxygen Acta Crystallographica Section C 50(3) (1994) 447-450
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009532.cif $ #-------------------------------------------------------------------...
2,009,533
9.821
0.002
12.576
0.003
15.068
0.005
104.63
0.02
97.21
0.02
105.98
0.02
1,692.6
0.8
293
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C34 H38 F6 Ir N O3 P2 -
- C34 H38 F6 Ir N O3 P2 -
- C68 H76 F12 Ir2 N2 O6 P4 -
2
1
HA1067
Bedford, R.B.; Chaloner, P.A.; Hitchcock, P.B.
An iridium complex of tris(4-methoxyphenyl)phosphine
Acta Crystallographica Section C
1,994
50
3
354
356
10.1107/S0108270193008819
0.71069
MoKα
null
0.033
null
null
0.04
null
null
null
null
1.2
1.2
null
null
null
has coordinates
Bedford, R.B.; Chaloner, P.A.; Hitchcock, P.B. An iridium complex of tris(4-methoxyphenyl)phosphine Acta Crystallographica Section C 50(3) (1994) 354-356
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009533.cif $ #-------------------------------------------------------------------...
2,009,534
9.1175
0.0011
12.3971
0.0014
15.5602
0.0016
90
null
92.068
0.009
90
null
1,757.6
0.3
183
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C15 H15 Cl3 N3 V -
- C15 H15 Cl3 N3 V -
- C60 H60 Cl12 N12 V4 -
4
1
HH1032
Sorensen, K.L.; Ziller, J.W.; Doherty, N.M.
<i>mer</i>-Trichlorotris(pyridine)vanadium(III)
Acta Crystallographica Section C
1,994
50
3
407
409
10.1107/S0108270193005268
0.71073
MoKα
null
0.052
null
null
0.053
null
null
null
null
1.19
1.19
null
null
null
has coordinates
Sorensen, K.L.; Ziller, J.W.; Doherty, N.M. <i>mer</i>-Trichlorotris(pyridine)vanadium(III) Acta Crystallographica Section C 50(3) (1994) 407-409
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/2/00/95/2009534.cif $ #-------------------------------------------------------------------...
2,009,535
8.693
0.0005
12.3768
0.0009
12.4624
0.0009
90
null
90
null
90
null
1,340.85
0.16
298
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
null
- C13 H20 Br N O2 -
- C13 H20 Br N O2 -
- C52 H80 Br4 N4 O8 -
4
1
HH1076
Garcia, J.G.; Fronczek, F.R.; Gandour, R.D.
2-Hydroxy-4,4-dimethyl-2-(2-methylphenyl)morpholinium bromide, C~13~H~20~NO~2~^+^.Br^{-^}
Acta Crystallographica Section C
1,994
50
3
430
432
10.1107/S0108270193006559
0.71073
MoKα
null
0.037
null
null
0.037
null
null
null
null
1.549
1.549
null
null
null
has coordinates
Garcia, J.G.; Fronczek, F.R.; Gandour, R.D. 2-Hydroxy-4,4-dimethyl-2-(2-methylphenyl)morpholinium bromide, C~13~H~20~NO~2~^+^.Br^{-^} Acta Crystallographica Section C 50(3) (1994) 430-432
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009535.cif $ #-------------------------------------------------------------------...
2,009,536
19.044
0.005
5.794
0.002
12.494
0.003
90
null
115.28
0.02
90
null
1,246.6
0.7
null
null
null
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
null
- C16 H12 N2 -
- C16 H12 N2 -
- C64 H48 N8 -
4
0.5
HL1035
Koh, L.L.; Yan,Xu; Sim, K.Y.; Liang, E.; Huang, H.H.
<i>meso</i>- and (±)-1,2-dicyano-1,2-diphenylethane
Acta Crystallographica Section C
1,994
50
3
438
442
10.1107/S0108270193008121
0.71073
MoKα
null
0.046
null
null
0.043
null
null
null
null
1.74
1.74
null
null
null
has coordinates
Koh, L.L.; Yan,Xu; Sim, K.Y.; Liang, E.; Huang, H.H. <i>meso</i>- and (±)-1,2-dicyano-1,2-diphenylethane Acta Crystallographica Section C 50(3) (1994) 438-442
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/2/00/95/2009536.cif $ #-------------------------------------------------------------------...
4,321,824
11.3869
0.0009
16.2642
0.0013
16.5072
0.0014
95.34
0.002
96.41
0.002
110.191
0.002
2,822.8
0.4
160
2
160
2
null
null
null
null
7
P -1
-P 1
2
(mu!2$-pyrazolate-N,N')-(mu!2$-carbonyl)-(carbonyl-iodo-tritolylphosphine rhodium(iii))-(iodo-tritolylphosphine-rhodium(iii)) diethylether solvate
- C52 H53 I2 N4 O2.5 P2 Rh2 -
- C52 H53 I2 N4 O2.5 P2 Rh2 -
- C104 H106 I4 N8 O5 P4 Rh4 -
2
1
Cristina Tejel; Marta Bordonaba; Miguel A. Ciriano; Andrew J. Edwards; William Clegg; Fernando J. Lahoz; Luis A. Oro
Oxidative-Addition Reactions of Diiodine to Dinuclear Rhodium Pyrazolate Complexes
Inorganic Chemistry
1,999
38
1108
1117
10.1021/ic980650s
0.71073
MoKα
0.0885
0.0504
null
null
0.1131
0.1289
null
null
null
null
null
1.019
null
null
has coordinates
Cristina Tejel; Marta Bordonaba; Miguel A. Ciriano; Andrew J. Edwards; William Clegg; Fernando J. Lahoz; Luis A. Oro Oxidative-Addition Reactions of Diiodine to Dinuclear Rhodium Pyrazolate Complexes Inorganic Chemistry 38 (1999) 1108-1117
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321824.cif $ #-------------------------------------------------------------------...
2,009,537
17.702
0.006
5.72
0.002
12.725
0.004
90
null
104.58
0.03
90
null
1,247
0.7
298
null
null
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
null
- C16 H12 N2 -
- C16 H12 N2 -
- C64 H48 N8 -
4
0.5
HL1035
Koh, L.L.; Yan,Xu; Sim, K.Y.; Liang, E.; Huang, H.H.
<i>meso</i>- and (±)-1,2-dicyano-1,2-diphenylethane
Acta Crystallographica Section C
1,994
50
3
438
442
10.1107/S0108270193008121
0.71073
MoKα
null
0.031
null
null
0.048
null
null
null
null
1.55
1.55
null
null
null
has coordinates
Koh, L.L.; Yan,Xu; Sim, K.Y.; Liang, E.; Huang, H.H. <i>meso</i>- and (±)-1,2-dicyano-1,2-diphenylethane Acta Crystallographica Section C 50(3) (1994) 438-442
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009537.cif $ #-------------------------------------------------------------------...
2,009,538
11.441
0.004
16.666
0.001
10.251
0.003
90
null
115.34
0.01
90
null
1,766.6
0.8
293
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C36 H37 N3 O9 S -
- C36 H37 N3 O9 S -
- C72 H74 N6 O18 S2 -
2
1
HU1040
Dianez, M.J.; Estrada, M.D.; Perez-Garrido, S.; Lopez-Castro, A.
3-[(2<i>R</i>,3<i>R</i>)-3-(4-Dimethylaminophenyl)-2-phenyl-2,3-epithiopropanoyl]-1-phenyl-(3,5,6-tri-<i>O</i>-acetyl-1,2-dideoxy-α-<small>D</small>-glucofuranoso)[1,2-<i>d</i>]imidazolidin-2-one
Acta Crystallographica Section C
1,994
50
3
442
444
10.1107/S0108270193010133
0.7107
MoKα
null
0.04
null
null
0.04
null
null
null
null
1.16
1.16
null
null
null
has coordinates
Dianez, M.J.; Estrada, M.D.; Perez-Garrido, S.; Lopez-Castro, A. 3-[(2<i>R</i>,3<i>R</i>)-3-(4-Dimethylaminophenyl)-2-phenyl-2,3-epithiopropanoyl]-1-phenyl-(3,5,6-tri-<i>O</i>-acetyl-1,2-dideoxy-α-<small>D</small>-glucofuranoso)[1,2-<i>d</i>]imidazolidin-2-one Acta Crystallographica Section C 50(3) (1994) 442-444
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009538.cif $ #-------------------------------------------------------------------...
2,009,539
15.995
0.005
12.958
0.007
9.732
0.004
90
null
90
null
90
null
2,017.1
1.5
298
null
null
null
null
null
null
null
5
P n 21 a
P -2ac -2n
null
- C12 H9 O10 Os3 P -
- C14 O10 Os3 P -
- C56 O40 Os12 P4 -
4
1
HU1044
Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M.
A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands
Acta Crystallographica Section C
1,994
50
3
371
375
10.1107/S010827019300767X
0.71073
MoKα
null
0.0444
null
null
0.0477
null
null
null
null
1.106
1.106
null
null
null
has coordinates
Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M. A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands Acta Crystallographica Section C 50(3) (1994) 371-375
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/2/00/95/2009539.cif $ #-------------------------------------------------------------------...
2,009,540
8.86
0.003
16.408
0.011
13.779
0.011
90
null
103.4
0.06
90
null
1,949
2
298
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C12 H7 O10 Os3 P -
- C12 O10 Os3 P -
- C48 O40 Os12 P4 -
4
1
HU1044
Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M.
A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands
Acta Crystallographica Section C
1,994
50
3
371
375
10.1107/S010827019300767X
0.71073
MoKα
null
0.0376
null
null
0.0524
null
null
null
null
0.62
0.62
null
null
null
has coordinates
Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M. A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands Acta Crystallographica Section C 50(3) (1994) 371-375
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/2/00/95/2009540.cif $ #-------------------------------------------------------------------...
2,009,541
17.108
0.004
14.229
0.004
14.485
0.009
90
null
90
null
90
null
3,526
3
298
null
null
null
null
null
null
null
5
P c a b
-P 2ab 2ac
null
- C10 H5 O9 Os3 P -
- C10 O9 Os3 P -
- C80 O72 Os24 P8 -
8
1
HU1044
Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M.
A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands
Acta Crystallographica Section C
1,994
50
3
371
375
10.1107/S010827019300767X
0.71073
MoKα
null
0.043
null
null
0.0526
null
null
null
null
1.076
1.076
null
null
null
has coordinates
Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M. A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands Acta Crystallographica Section C 50(3) (1994) 371-375
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/2/00/95/2009541.cif $ #-------------------------------------------------------------------...
4,321,823
10.55
0.002
15.763
0.003
16.353
0.003
83.94
0.03
79.975
0.015
83.97
0.03
2,652.6
0.9
160
2
160
2
null
null
null
null
7
P -1
-P 1
2
bis-(mu!2$-pyrazolate-N,N')-carbonyl-iodo-trimethylphosphite-rhodium(ii))
- C14 H24 I2 N4 O8 P2 Rh2 -
- C14 H24 I2 N4 O8 P2 Rh2 -
- C56 H96 I8 N16 O32 P8 Rh8 -
4
2
Cristina Tejel; Marta Bordonaba; Miguel A. Ciriano; Andrew J. Edwards; William Clegg; Fernando J. Lahoz; Luis A. Oro
Oxidative-Addition Reactions of Diiodine to Dinuclear Rhodium Pyrazolate Complexes
Inorganic Chemistry
1,999
38
1108
1117
10.1021/ic980650s
0.71073
MoKα
0.0834
0.0494
null
null
0.104
0.118
null
null
null
null
null
1.016
null
null
has coordinates
Cristina Tejel; Marta Bordonaba; Miguel A. Ciriano; Andrew J. Edwards; William Clegg; Fernando J. Lahoz; Luis A. Oro Oxidative-Addition Reactions of Diiodine to Dinuclear Rhodium Pyrazolate Complexes Inorganic Chemistry 38 (1999) 1108-1117
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321823.cif $ #-------------------------------------------------------------------...
2,009,542
11.903
0.002
20.019
0.004
21.64
0.003
90
null
90
null
90
null
5,156.5
1.5
291
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
null
- C52 H51 F15 N P Pt -
- C52 H45 F15 N P Pt -
- C208 H180 F60 N4 P4 Pt4 -
4
1
HU1049
Ara, I.; Milagros, T.
Tetra-<i>n</i>-butylammonium tris(perfluorophenyl)(triphenylphosphine)platinate(II)
Acta Crystallographica Section C
1,994
50
3
375
377
10.1107/S0108270193008649
0.71069
MoKα
null
0.0391
null
null
0.0411
null
null
null
null
null
null
null
null
null
has coordinates
Ara, I.; Milagros, T. Tetra-<i>n</i>-butylammonium tris(perfluorophenyl)(triphenylphosphine)platinate(II) Acta Crystallographica Section C 50(3) (1994) 375-377
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/2/00/95/2009542.cif $ #-------------------------------------------------------------------...
2,009,543
11.364
0.002
16.452
0.003
18.609
0.004
90
null
90
null
90
null
3,479.1
1.2
290
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C21 H20 N2 -
- C21 H20 N2 -
- C168 H160 N16 -
8
2
HU1054
Alcock, N.W.; Blacker, N.C.; Errington, W.; Wallbridge, M.G.H.
<i>N</i>^1^,<i>N</i>^2^-Di(<i>p</i>-tolyl)benzamidine, C~21~H~20~N~2~
Acta Crystallographica Section C
1,994
50
3
456
458
10.1107/S0108270193009035
0.71073
MoKα
null
0.051
null
null
0.07
null
null
null
null
1.16
1.16
null
null
null
has coordinates
Alcock, N.W.; Blacker, N.C.; Errington, W.; Wallbridge, M.G.H. <i>N</i>^1^,<i>N</i>^2^-Di(<i>p</i>-tolyl)benzamidine, C~21~H~20~N~2~ Acta Crystallographica Section C 50(3) (1994) 456-458
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009543.cif $ #-------------------------------------------------------------------...
2,009,544
18.938
0.004
7.112
0.001
16.205
0.003
90
null
90.91
0.03
90
null
2,182.3
0.7
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C23 H20 Br N5 O2 -
- C23 H20 Br N5 O2 -
- C92 H80 Br4 N20 O8 -
4
1
KA1041
Gł ówka, M.L.; Oł ubek, Z.
2'-Bromo-4-[<i>N</i>-(2-cyanoethyl)-<i>N</i>-(2-phenylethyl)]amino-4'-nitroazobenzene
Acta Crystallographica Section C
1,994
50
3
458
460
10.1107/S0108270193007954
1.54178
CuKα
null
0.063
null
null
0.082
null
null
null
null
1.5
1.5
null
null
null
has coordinates
Gł ówka, M.L.; Oł ubek, Z. 2'-Bromo-4-[<i>N</i>-(2-cyanoethyl)-<i>N</i>-(2-phenylethyl)]amino-4'-nitroazobenzene Acta Crystallographica Section C 50(3) (1994) 458-460
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009544.cif $ #-------------------------------------------------------------------...
2,009,545
11.495
0.005
11.815
0.005
18.4
0.01
83.09
0.05
76.79
0.05
77
0.03
2,364
2
291
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C33 H42 Ce N15 O24 -
- C33 Ce N15 O24 -
- C66 Ce2 N30 O48 -
2
1
LI1055
Barberato, C.; Castellano, E.E.; Vicentini, G.; Isolani, P.C.; Lima, M.I.R.
Cerium(III) and neodymium(III) picrate complexes with tetramethylurea
Acta Crystallographica Section C
1,994
50
3
351
354
10.1107/S0108270193008765
1.54056
CuKα
null
0.0703
null
null
0.0745
null
null
null
null
1.77
1.77
null
null
null
has coordinates
Barberato, C.; Castellano, E.E.; Vicentini, G.; Isolani, P.C.; Lima, M.I.R. Cerium(III) and neodymium(III) picrate complexes with tetramethylurea Acta Crystallographica Section C 50(3) (1994) 351-354
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/95/2009545.cif $ #-------------------------------------------------------------------...
2,009,546
18.913
0.005
12.386
0.005
22.134
0.005
90
null
112.2
0.05
90
null
4,801
3
291
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C33 H42 N15 Nd O24 -
- C33 N15 Nd O24 -
- C132 N60 Nd4 O96 -
4
1
LI1055
Barberato, C.; Castellano, E.E.; Vicentini, G.; Isolani, P.C.; Lima, M.I.R.
Cerium(III) and neodymium(III) picrate complexes with tetramethylurea
Acta Crystallographica Section C
1,994
50
3
351
354
10.1107/S0108270193008765
1.54056
CuKα
null
0.06
null
null
0.0642
null
null
null
null
1.44
1.44
null
null
null
has coordinates
Barberato, C.; Castellano, E.E.; Vicentini, G.; Isolani, P.C.; Lima, M.I.R. Cerium(III) and neodymium(III) picrate complexes with tetramethylurea Acta Crystallographica Section C 50(3) (1994) 351-354
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/2/00/95/2009546.cif $ #-------------------------------------------------------------------...
4,321,822
14.2168
0.0014
14.354
0.0017
18.679
0.002
81.101
0.01
67.763
0.009
89.107
0.009
3,482
0.7
193
2
193
2
null
null
null
null
5
P -1
-P 1
2
- C18 H15 Cd K O3 -
- C16.875 H27.75 Cd0.25 K0.25 O2.375 -
- C135 H222 Cd2 K2 O19 -
8
4
Donald J. Darensbourg; Sharon A. Niezgoda; Jennifer D. Draper; Joseph H. Reibenspies
trigonal-Planar Zinc(II) and Cadmium(II) Tris(phenoxide) Complexes
Inorganic Chemistry
1,999
38
1356
1359
10.1021/ic9805325
0.71073
MoKα
0.093
0.0675
null
null
0.168
0.1791
null
null
null
null
null
1.381
null
null
has coordinates
Donald J. Darensbourg; Sharon A. Niezgoda; Jennifer D. Draper; Joseph H. Reibenspies trigonal-Planar Zinc(II) and Cadmium(II) Tris(phenoxide) Complexes Inorganic Chemistry 38 (1999) 1356-1359
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321822.cif $ #-------------------------------------------------------------------...
2,009,547
9.2228
0.0008
11.7012
0.0008
9.8752
0.0009
90
null
90
null
90
null
1,065.71
0.15
293
null
null
null
null
null
null
null
5
P n c 2
P 2 -2bc
30
- C18 H28 Cd Cl2 N6 -
- C18 H28 Cd Cl2 N6 -
- C36 H56 Cd2 Cl4 N12 -
2
0.5
LI1057
Castro, J.A.; Romero, J.; Garcia-Vazquez, J.A.; Macias, A.; Sousa, A.; Englert, U.
Dichloro[5,8-dimethyl-1,12-di-2-pyrrolyl-2,5,8,11-tetraaza-1,11-dodecadiene-<i>N</i>^2^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^11^]cadmium(II)
Acta Crystallographica Section C
1,994
50
3
369
371
10.1107/S0108270193007577
1.5406
CuKα
null
0.042
null
null
0.049
null
null
null
null
1.15
1.15
null
null
null
has coordinates
Castro, J.A.; Romero, J.; Garcia-Vazquez, J.A.; Macias, A.; Sousa, A.; Englert, U. Dichloro[5,8-dimethyl-1,12-di-2-pyrrolyl-2,5,8,11-tetraaza-1,11-dodecadiene-<i>N</i>^2^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^11^]cadmium(II) Acta Crystallographica Section C 50(3) (1994) 369-371
198,527
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-07-07 01:16:51 +0300 (Fri, 07 Jul 2017) $ #$Revision: 198527 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009547.cif $ #-------------------------------------------------------------------...
2,009,548
18.084
0.005
18.084
0.005
18.084
0.005
90
null
90
null
90
null
5,914
3
298
null
null
null
null
null
null
null
3
F -4 3 m
F -4 2 3
null
- Fe Ni Zn6.5 -
- Fe1.00364 Zn6.47273 -
- Fe55.2 Zn356 -
55
0.572917
MU1047
Lidin, S.; Jacob, M.; Larsson, A.-K.
(Fe,Ni)Zn~6.5~, a superstructure of γ-brass
Acta Crystallographica Section C
1,994
50
3
340
342
10.1107/S0108270193008650
0.71069
MoKα
null
0.041
null
null
0.057
null
null
null
null
1.3162
1.3162
null
null
null
has coordinates
Lidin, S.; Jacob, M.; Larsson, A.-K. (Fe,Ni)Zn~6.5~, a superstructure of γ-brass Acta Crystallographica Section C 50(3) (1994) 340-342
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/2/00/95/2009548.cif $ #-------------------------------------------------------------------...
2,009,549
13.516
0.007
13.516
0.007
10.353
0.005
90
null
90
null
90
null
1,891.3
1.7
296
null
null
null
null
null
null
null
5
P 4/n :2
-P 4a
85
- C12 H56 B4 P4 Zr2 -
- C12 H56 B4 P4 Zr2 -
- C24 H112 B8 P8 Zr4 -
2
0.25
MU1053
Mayo, S.C.; Brown, M.; Lloyd, V.K.
A zirconium polyhydride dimer, [Zr~2~H~4~(BH~4~)~4~(PMe~3~)~4~]
Acta Crystallographica Section C
1,994
50
3
367
369
10.1107/S0108270193008042
0.71073
MoKα
null
0.062
null
null
0.054
null
null
null
null
1.82
1.82
null
null
null
has coordinates
Mayo, S.C.; Brown, M.; Lloyd, V.K. A zirconium polyhydride dimer, [Zr~2~H~4~(BH~4~)~4~(PMe~3~)~4~] Acta Crystallographica Section C 50(3) (1994) 367-369
206,022
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-02-01 14:52:20 +0200 (Thu, 01 Feb 2018) $ #$Revision: 206022 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009549.cif $ #-------------------------------------------------------------------...
2,009,550
9.3226
0.0006
14.301
0.001
15.042
0.001
90
null
90
null
90
null
2,005.4
0.2
293
1
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
null
- C16 H22 Cl N7 O6 -
- C16 H22 Cl N7 O6 -
- C64 H88 Cl4 N28 O24 -
4
1
MU1060
Golič, L.; Sinur, A.; Stanovnik, B.; Žličar, M.
Two substituted pyrazolo[1',2':1,2]pyrazolo[4,3-<i>d</i>]tetrazolo[1,5-<i>b</i>]pyridazines
Acta Crystallographica Section C
1,994
50
3
466
469
10.1107/S0108270193007838
0.71069
MoKα
null
0.032
null
null
0.04
null
null
null
null
0.584
0.584
null
null
null
has coordinates
Golič, L.; Sinur, A.; Stanovnik, B.; Žličar, M. Two substituted pyrazolo[1',2':1,2]pyrazolo[4,3-<i>d</i>]tetrazolo[1,5-<i>b</i>]pyridazines Acta Crystallographica Section C 50(3) (1994) 466-469
301,791
2025-08-18
23:15:34
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2,009,551
11.4371
0.0008
17.879
0.001
12.7762
0.0009
90
null
109.406
0.006
90
null
2,464.1
0.3
293
1
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C23 H21 Cl N8 O6 -
- C23 H21 Cl N8 O6 -
- C92 H84 Cl4 N32 O24 -
4
1
MU1060
Golič, L.; Sinur, A.; Stanovnik, B.; Žličar, M.
Two substituted pyrazolo[1',2':1,2]pyrazolo[4,3-<i>d</i>]tetrazolo[1,5-<i>b</i>]pyridazines
Acta Crystallographica Section C
1,994
50
3
466
469
10.1107/S0108270193007838
0.71069
MoKα
null
0.038
null
null
0.05
null
null
null
null
0.998
0.998
null
null
null
has coordinates
Golič, L.; Sinur, A.; Stanovnik, B.; Žličar, M. Two substituted pyrazolo[1',2':1,2]pyrazolo[4,3-<i>d</i>]tetrazolo[1,5-<i>b</i>]pyridazines Acta Crystallographica Section C 50(3) (1994) 466-469
301,791
2025-08-18
23:15:34
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4,321,821
11.027
0.001
14.226
0.004
16.143
0.002
87.19
0.02
73.42
0.01
80.47
0.01
2,393.6
0.8
293
2
293
2
null
null
null
null
synthesis
7
P -1
-P 1
2
\5-Cyclodiphosphazanes
- C40 H37 Br Cl8 N3 O7 P3 -
- C40 H37 Br Cl8 N3 O7 P3 -
- C80 H74 Br2 Cl16 N6 O14 P6 -
2
1
Natesan Thirupathi; Setharampattu S. Krishnamurthy; Munirathinam Nethaji
Oxidative Addition of Tetrachloro-1,2-benzoquinone to λ3-Cyclotriphosphazanes. An Unusual Ring Contraction-Rearrangement
Inorganic Chemistry
1,999
38
1093
1098
10.1021/ic980459i
0.71073
MoKa
0.1929
0.0784
null
0.1934
0.1369
null
null
null
1.13
1.243
1.243
null
null
null
has coordinates
Natesan Thirupathi; Setharampattu S. Krishnamurthy; Munirathinam Nethaji Oxidative Addition of Tetrachloro-1,2-benzoquinone to λ3-Cyclotriphosphazanes. An Unusual Ring Contraction-Rearrangement Inorganic Chemistry 38 (1999) 1093-1098
301,838
2025-08-20
22:17:34
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2,009,552
9.157
0.001
12.264
0.001
18.163
0.002
90
null
90
null
90
null
2,039.7
0.4
292
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C24 H21 N3 O -
- C24 H21 N3 O -
- C96 H84 N12 O4 -
4
1
NA1035
Bruno, G.; Nicolo, F.; Foti, F.; Grassi, G.; Risitano, F.; Munno, G.De.
Synthesis of <i>N</i>-benzoyl-1,3-imidazole oximes. Structure of C~24~H~21~N~3~O
Acta Crystallographica Section C
1,994
50
3
428
430
10.1107/S0108270193007085
0.71073
MoKα
null
0.048
null
null
0.056
null
null
null
null
0.98
0.98
null
null
null
has coordinates
Bruno, G.; Nicolo, F.; Foti, F.; Grassi, G.; Risitano, F.; Munno, G.De. Synthesis of <i>N</i>-benzoyl-1,3-imidazole oximes. Structure of C~24~H~21~N~3~O Acta Crystallographica Section C 50(3) (1994) 428-430
301,791
2025-08-18
23:15:34
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2,009,553
5.984
0.002
11.703
0.004
12.559
0.004
90
null
99.11
0.02
90
null
868.4
0.5
297
null
297
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
Bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxamide
- C9 H10 N2 O2 -
- C9 H10 N2 O2 -
- C36 H40 N8 O8 -
4
1
PA1037
Gourdon, André; Lainé, Philippe
Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide, C~9~H~10~N~2~O~2~
Acta Crystallographica Section C
1,994
50
3
414
415
10.1107/S0108270193002021
0.71069
MoKα
null
0.04
null
null
0.039
null
null
null
null
null
null
null
null
null
has coordinates
Gourdon, André; Lainé, Philippe Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide, C~9~H~10~N~2~O~2~ Acta Crystallographica Section C 50(3) (1994) 414-415
301,791
2025-08-18
23:15:34
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2,009,554
7.74
0.01
7.94
0.02
9.02
0.01
100.7
0.1
94.5
0.1
115.8
0.1
482.4
1.6
293
1
null
null
null
null
null
null
6
P -1
-P 1
2
- C10 H24 Cl4 Cu N4 S2 -
- C10 H24 Cl4 Cu N4 S2 -
- C10 H24 Cl4 Cu N4 S2 -
1
0.5
PA1051
Viossat, B.; Nguyen-Huy, Dung.; Lancelot, J.C.
Sels de <i>S</i>,<i>S</i>'-(alcane-α,ω-diyle)bis(thiouronium). I. Structure du tétrachlorocuprate(II) de <i>S</i>,<i>S</i>'-(octane-1,8-diyle)bis(thiouronium)
Acta Crystallographica Section C
1,994
50
3
362
364
10.1107/S0108270193007395
0.7107
MoKα
null
0.041
null
null
0.046
null
null
null
null
3.4
3.4
null
null
null
has coordinates
Viossat, B.; Nguyen-Huy, Dung.; Lancelot, J.C. Sels de <i>S</i>,<i>S</i>'-(alcane-α,ω-diyle)bis(thiouronium). I. Structure du tétrachlorocuprate(II) de <i>S</i>,<i>S</i>'-(octane-1,8-diyle)bis(thiouronium) Acta Crystallographica Section C 50(3) (1994) 362-364
176,435
2020-10-21
18:00:00
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2,009,555
11.224
0.004
8.88
0.003
11.046
0.004
101.66
0.04
99.69
0.04
125.71
0.04
816.8
0.8
293
null
293
null
null
null
null
null
3
P -1
-P 1
2
Ethyl (2E,4E,6E)-7-(6-methyl-2H-1-benzopyran-3-yl)hepta-2,4,6-trienoate nom chimique (2E,4E,6E)-7-(6-méthyl-2H-1-benzopyran-3-yl)hepta-2,4,6-triénoate d'éthyle
- C19 H20 O3 -
- C19 H20 O3 -
- C38 H40 O6 -
2
1
PA1072
Leger, Jean Michel; Carpy, Alain; Belachmi, Larbi; Leblois, Daniéle; Le Baut, Guillaume
(2<i>E</i>,4<i>E</i>,6<i>E</i>)-7-(6-Méthyl-2<i>H</i>-1-benzopyran-3-yl)hepta-2,4,6-triénoate d'éthyle
Acta Crystallographica Section C
1,994
50
3
419
421
10.1107/S0108270193010364
1.5418
CuKα
null
0.053
null
null
0.08
null
null
null
null
0.362
0.362
null
null
null
has coordinates
Leger, Jean Michel; Carpy, Alain; Belachmi, Larbi; Leblois, Daniéle; Le Baut, Guillaume (2<i>E</i>,4<i>E</i>,6<i>E</i>)-7-(6-Méthyl-2<i>H</i>-1-benzopyran-3-yl)hepta-2,4,6-triénoate d'éthyle Acta Crystallographica Section C 50(3) (1994) 419-421
301,791
2025-08-18
23:15:34
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