file
int64
a
float64
siga
float64
b
float64
sigb
float64
c
float64
sigc
float64
alpha
float64
sigalpha
float64
beta
float64
sigbeta
float64
gamma
float64
siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
float64
cellpressure
float64
sigcellpressure
float64
diffrpressure
float64
sigdiffrpressure
float64
thermalhist
string
pressurehist
string
compoundsource
string
nel
string
sg
string
sgHall
string
sgNumber
int64
commonname
string
chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
Zprime
float64
acce_code
string
authors
string
title
string
journal
string
year
int64
volume
int64
issue
string
firstpage
string
lastpage
string
doi
string
method
string
radiation
string
wavelength
float64
radType
string
radSymbol
string
Rall
float64
Robs
float64
Rref
float64
wRall
float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
gofobs
float64
gofgt
float64
gofref
float64
duplicateof
int64
optimal
int64
status
string
flags
string
text
string
svnrevision
int64
date
string
time
string
onhold
string
cif_text
string
2,000,748
7.538
0.001
7.416
0.003
30.803
0.004
90
null
90
null
90
null
1,722
1
null
null
null
null
null
null
null
null
5
A e m a
-A 2ab 2ab
64
- C8 H24 Cd Cl4 N2 -
- C16 Cd Cl4 N4 -
- C64 Cd4 Cl16 N16 -
4
0.25
MU0240
Doudin, B.; Chapuis, G.
Structure of bis(<i>n</i>-butylammonium) tetrachlorocadmate(II)
Acta Crystallographica Section C
1,992
48
7
1218
1220
10.1107/S010827019101452X
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Doudin, B.; Chapuis, G. Structure of bis(<i>n</i>-butylammonium) tetrachlorocadmate(II) Acta Crystallographica Section C 48(7) (1992) 1218-1220
208,233
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-09 17:56:00 +0300 (Sat, 09 Jun 2018) $ #$Revision: 208233 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000748.cif $ #-------------------------------------------------------------------...
2,000,749
10.081
0.004
13.339
0.004
15.083
0.003
85.24
0.04
82.673
0.005
67.37
0.04
1,855.5
1.1
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C45 H57 Cl U -
- C45 H57 Cl U -
- C90 H114 Cl2 U2 -
2
1
AB0235
Spirlet, M. R.; Rebizant, J.; Bettonville, S.; Goffart, J.
Structure of chlorotris(1,2,4,5,6,7-hexamethylindenyl)uranium(IV)
Acta Crystallographica Section C
1,992
48
7
1221
1223
10.1107/S0108270191014592
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Spirlet, M. R.; Rebizant, J.; Bettonville, S.; Goffart, J. Structure of chlorotris(1,2,4,5,6,7-hexamethylindenyl)uranium(IV) Acta Crystallographica Section C 48(7) (1992) 1221-1223
208,360
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000749.cif $ #-------------------------------------------------------------------...
2,000,750
21.37
0.02
22.04
0.01
8.66
0.01
90
null
90
null
90
null
4,079
6
null
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
19
- C20 H44 Ba2 N10 O28 P2 -
- C20 H44 Ba2 N10 O28 P2 -
- C80 H176 Ba8 N40 O112 P8 -
4
1
SE0083
Churchill, M. E. A.; Pritchard, R. G.; Helliwell, M.
Structure of barium guanosine 5'-monophosphate
Acta Crystallographica Section C
1,992
48
7
1223
1227
10.1107/S0108270192001136
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Churchill, M. E. A.; Pritchard, R. G.; Helliwell, M. Structure of barium guanosine 5'-monophosphate Acta Crystallographica Section C 48(7) (1992) 1223-1227
208,466
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $ #$Revision: 208466 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000750.cif $ #-------------------------------------------------------------------...
2,000,751
15.408
0.006
19.974
0.007
23.264
0.011
107.78
0.04
103.54
0.04
101.51
0.03
6,338
5
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C18 H16 Ge O -
- C18 H16 Ge O -
- C288 H256 Ge16 O16 -
16
8
MU0293
Ferguson, G.; Gallagher, J. F.; Murphy, D.; Spalding, T. R.; Glidewell, C.; Holden, H. D.
The structure of triphenylgermanium hydroxide
Acta Crystallographica, Section C: Crystal Structure Communications
1,992
48
7
1228
1231
10.1107/S0108270191015056
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ferguson, G.; Gallagher, J. F.; Murphy, D.; Spalding, T. R.; Glidewell, C.; Holden, H. D. The structure of triphenylgermanium hydroxide Acta Crystallographica, Section C: Crystal Structure Communications 48(7) (1992) 1228-1231
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000751.cif $ #-------------------------------------------------------------------...
7,205,786
7.772
0.003
11.979
0.004
13.235
0.005
90
null
104.844
0.005
90
null
1,191.1
0.8
293
2
293
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C13 H6 Br N O3 S -
- C13 H6 Br N O3 S -
- C52 H24 Br4 N4 O12 S4 -
4
1
Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa
Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity
CrystEngComm
2,011
13
7
2604
10.1039/c0ce00783h
1.5418
CuKα
0.1099
0.0847
null
null
0.2288
0.2477
null
null
null
null
null
1.048
null
null
has coordinates
Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity CrystEngComm 13(7) (2011) 2604
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205786.cif $ #-------------------------------------------------------------------...
2,000,752
12.413
0.003
14.645
0.003
12.287
0.002
90
null
90
null
90
null
2,233.6
0.8
null
null
null
null
null
null
null
null
6
P b c n
null
- C20 H16 Cl2 Cu N4 O8 -
- C20 H16 Cl2 Cu N4 O8 -
- C80 H64 Cl8 Cu4 N16 O32 -
4
0.5
AS0546
Chen, C.; Xu, D.; Xu, Y.; Cheng, C.; Ling, R.
Structure of <i>catena</i>-poly[{(2,2'-bipyridyl)(diperchlorato)copper(II)}-μ-4,4'-bipyridyl]
Acta Crystallographica Section C
1,992
48
7
1231
1233
10.1107/S0108270191014361
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chen, C.; Xu, D.; Xu, Y.; Cheng, C.; Ling, R. Structure of <i>catena</i>-poly[{(2,2'-bipyridyl)(diperchlorato)copper(II)}-μ-4,4'-bipyridyl] Acta Crystallographica Section C 48(7) (1992) 1231-1233
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/2/00/07/2000752.cif $ #-------------------------------------------------------------------...
2,000,753
6.7
0.001
20.911
0.009
9.609
0.002
90
null
104.24
0.02
90
null
1,304.9
0.7
null
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
null
- C16 H36 F12 N2 O4 P2 -
- C16 H36 F28 N2 O4 P2 -
- C32 H72 F56 N4 O8 P4 -
2
0.5
GE0275
Suwińska, K.
Structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiazonia-18-crown-6 with PF^{-^}~6~ and I^{-^} as the counterions
Acta Crystallographica Section C
1,992
48
7
1234
1237
10.1107/S0108270191013690
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Suwińska, K. Structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiazonia-18-crown-6 with PF^{-^}~6~ and I^{-^} as the counterions Acta Crystallographica Section C 48(7) (1992) 1234-1237
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/2/00/07/2000753.cif $ #-------------------------------------------------------------------...
2,000,754
6.482
0.001
16.932
0.002
10.871
0.001
90
null
106.63
0.02
90
null
1,143.2
0.3
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C16 H36 I2 N2 O4 -
- C16 H36 I2 N2 O4 -
- C32 H72 I4 N4 O8 -
2
0.5
GE0275
Suwińska, K.
Structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiazonia-18-crown-6 with PF^{-^}~6~ and I^{-^} as the counterions
Acta Crystallographica Section C
1,992
48
7
1234
1237
10.1107/S0108270191013690
0.71078
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Suwińska, K. Structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiazonia-18-crown-6 with PF^{-^}~6~ and I^{-^} as the counterions Acta Crystallographica Section C 48(7) (1992) 1234-1237
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000754.cif $ #-------------------------------------------------------------------...
2,000,755
13.602
0.001
14.477
0.002
6.969
0.001
90
null
90
null
90
null
1,372.3
0.3
null
null
null
null
null
null
null
null
4
P c a b
-P 2bc 2ac
61
2,4-dioxido-1,2,3,4-benzotetrazine-2,4-diium
- C6 H4 N4 O2 -
- C6 H4 N4 O2 -
- C48 H32 N32 O16 -
8
1
AS0556
Yamaguchi, K.; Takahashi, H.; Kaihoh, T.; Itoh, T.; Okada, M.; Nagata, K.; Matsumura, G.; Ohsawa, A.
Structure of benzo-1,2,3,4-tetrazine 1,3-dioxide
Acta Crystallographica Section C
1,992
48
7
1237
1239
10.1107/S0108270191013781
1.5405
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yamaguchi, K.; Takahashi, H.; Kaihoh, T.; Itoh, T.; Okada, M.; Nagata, K.; Matsumura, G.; Ohsawa, A. Structure of benzo-1,2,3,4-tetrazine 1,3-dioxide Acta Crystallographica Section C 48(7) (1992) 1237-1239
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000755.cif $ #-------------------------------------------------------------------...
7,205,785
16.309
0.004
6.7318
0.0016
13.206
0.006
90
null
121.757
0.009
90
null
1,232.8
0.7
293
2
293
2
null
null
null
null
5
C 1 2/m 1
-C 2y
12
- C13 H10 N2 O4 S -
- C13 H10 N2 O4 S -
- C52 H40 N8 O16 S4 -
4
0.5
Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa
Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity
CrystEngComm
2,011
13
7
2604
10.1039/c0ce00783h
0.71073
MoKα
0.1
0.0485
null
null
0.0813
0.0981
null
null
null
null
null
1.012
null
null
has coordinates
Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity CrystEngComm 13(7) (2011) 2604
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205785.cif $ #-------------------------------------------------------------------...
2,000,756
9.385
0.004
12.314
0.004
18.573
0.006
90
null
90
null
90
null
2,146.4
1.3
null
null
null
null
null
null
null
null
4
P b n 21
P 2c -2ab
33
N-benzyl-3-benzylidene-4-methyl-4-nitro-5-phenyl-2-pyrrolidinone
- C25 H22 N2 O3 -
- C25 H22 N2 O3 -
- C100 H88 N8 O12 -
4
1
HE0036
Mostafa, G.; Mukherjee, M.; Ray, S.
Structure of <i>N</i>-benzyl-3-benzylidene-4-methyl-4-nitro-5-phenyl-2-pyrrolidinone
Acta Crystallographica Section C
1,992
48
7
1241
1243
10.1107/S0108270191013975
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mostafa, G.; Mukherjee, M.; Ray, S. Structure of <i>N</i>-benzyl-3-benzylidene-4-methyl-4-nitro-5-phenyl-2-pyrrolidinone Acta Crystallographica Section C 48(7) (1992) 1241-1243
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000756.cif $ #-------------------------------------------------------------------...
2,000,757
7.961
0.005
11.863
0.006
24.873
0.008
90
null
92.29
0.01
90
null
2,347
2
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C27 H28 N2 O4 -
- C27 H28 N2 O4 -
- C108 H112 N8 O16 -
4
1
PA0228
Warin, V.; Lamiot, J.; Baert, F.; Ait Mansour, H.; Houssin, R.; Lesieur, D.
Structure of 6-benzyl-5-(3,4-dimethoxybenzyl)-3-methyl-5,6,7,8-tetrahydro-3<i>H</i>-oxazolo[5,4-<i>g</i>]isoquinolin-2-one
Acta Crystallographica Section C
1,992
48
7
1243
1246
10.1107/S0108270191013720
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Warin, V.; Lamiot, J.; Baert, F.; Ait Mansour, H.; Houssin, R.; Lesieur, D. Structure of 6-benzyl-5-(3,4-dimethoxybenzyl)-3-methyl-5,6,7,8-tetrahydro-3<i>H</i>-oxazolo[5,4-<i>g</i>]isoquinolin-2-one Acta Crystallographica Section C 48(7) (1992) 1243-1246
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000757.cif $ #-------------------------------------------------------------------...
2,000,758
16.454
0.003
17.353
0.003
17.674
0.001
90
null
90
null
90
null
5,046.4
1.3
null
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
null
- C25 H27 N5 Si -
- C25 H27 N5 Si -
- C200 H216 N40 Si8 -
8
1
HA0095
Whitby, R. J.; Webster, M.; Dennehy, R. D.
Structure of 6-(<i>tert</i>-butylimino)-4,4,5,5-tetracyano-3-(1-phenylethylidene)-1-(trimethylsilyl)cyclohex-1-ene
Acta Crystallographica Section C
1,992
48
7
1252
1253
10.1107/S0108270191014464
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Whitby, R. J.; Webster, M.; Dennehy, R. D. Structure of 6-(<i>tert</i>-butylimino)-4,4,5,5-tetracyano-3-(1-phenylethylidene)-1-(trimethylsilyl)cyclohex-1-ene Acta Crystallographica Section C 48(7) (1992) 1252-1253
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000758.cif $ #-------------------------------------------------------------------...
2,000,759
11.2191
0.0004
15.9824
0.0005
17.7311
0.0007
90
null
90
null
90
null
3,179.3
0.2
null
null
null
null
null
null
null
null
4
C m c 21
C 2c -2
null
- C32 H46 N4 O8 -
- C32 H48 N4 O8 -
- C128 H192 N16 O32 -
4
0.5
GE0295
Kanters, J. A.; Schouten, A.; Kroon, J.; Grech, E.
Complexes of the `proton sponge' 1,8-bis(dimethylamino)naphthalene (DMAN). IV. Structure of [DMANH]~2~^+^.[squarate]^2{-^} tetrahydrate at 100 K
Acta Crystallographica Section C
1,992
48
7
1254
1257
10.1107/S0108270191014348
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kanters, J. A.; Schouten, A.; Kroon, J.; Grech, E. Complexes of the `proton sponge' 1,8-bis(dimethylamino)naphthalene (DMAN). IV. Structure of [DMANH]~2~^+^.[squarate]^2{-^} tetrahydrate at 100 K Acta Crystallographica Section C 48(7) (1992) 1254-1257
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/2/00/07/2000759.cif $ #-------------------------------------------------------------------...
7,205,784
7.049
0.002
11.888
0.003
16.218
0.005
86.15
0.01
84.556
0.0014
86.298
0.0011
1,347.5
0.7
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
- C13 H8 Br N O4 S -
- C13 H8 Br N O4 S -
- C52 H32 Br4 N4 O16 S4 -
4
2
Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa
Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity
CrystEngComm
2,011
13
7
2604
10.1039/c0ce00783h
1.5418
CuKα
0.1207
0.0605
null
null
0.1496
0.1695
null
null
null
null
null
0.951
null
null
has coordinates
Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity CrystEngComm 13(7) (2011) 2604
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205784.cif $ #-------------------------------------------------------------------...
2,000,760
8.63
0.001
9.908
0.004
13.549
0.016
107.73
0.03
94.96
0.05
112.51
0.03
991.9
1.3
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C26 H19 N O3 -
- C26 H19 N O3 -
- C52 H38 N2 O6 -
2
1
HA0079
Hursthouse, M. B.; Karaulov, A. I.; Ciechanowicz-Rutkowska, M.; Kolasa, A.; Zankowska-Jasińska, W.
Structure of 3-benzoyl-4-methyl-1-phenyl-1,2,3,4-tetrahydro-5<i>H</i>-indeno[1,2-<i>b</i>]pyridine-2,5-dione
Acta Crystallographica Section C
1,992
48
7
1257
1260
10.1107/S0108270191014476
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hursthouse, M. B.; Karaulov, A. I.; Ciechanowicz-Rutkowska, M.; Kolasa, A.; Zankowska-Jasińska, W. Structure of 3-benzoyl-4-methyl-1-phenyl-1,2,3,4-tetrahydro-5<i>H</i>-indeno[1,2-<i>b</i>]pyridine-2,5-dione Acta Crystallographica Section C 48(7) (1992) 1257-1260
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000760.cif $ #-------------------------------------------------------------------...
2,000,761
6.756
0.002
13.012
0.004
10.931
0.004
90
null
91.5
0.02
90
null
960.6
0.5
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C6 H9 B2 Br N4 -
- C6 H8 B2 Br N4 -
- C24 H32 B8 Br4 N16 -
4
1
CR0390
Hodgkins, T. G.; Powell, D. R.
Structure of 4-bromopyrazabole
Acta Crystallographica Section C
1,992
48
7
1260
1262
10.1107/S0108270191013872
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hodgkins, T. G.; Powell, D. R. Structure of 4-bromopyrazabole Acta Crystallographica Section C 48(7) (1992) 1260-1262
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/07/2000761.cif $ #-------------------------------------------------------------------...
2,000,762
12.456
0.002
6.735
0.004
16.135
0.003
90
null
92.17
0.01
90
null
1,352.6
0.9
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
null
- C18 H15 N O3 -
- C18 H15 N O3 -
- C72 H60 N4 O12 -
4
1
GE0291
Kaufmann, M.; Berger, D.; Härter, R.; Hirschi, D.; Bürgi, H.-B.; Raselli, A.; Röhr, C.
Structure of 1-morpholinoanthraquinone at 110 K
Acta Crystallographica Section C
1,992
48
7
1262
1265
10.1107/S0108270191014336
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kaufmann, M.; Berger, D.; Härter, R.; Hirschi, D.; Bürgi, H.-B.; Raselli, A.; Röhr, C. Structure of 1-morpholinoanthraquinone at 110 K Acta Crystallographica Section C 48(7) (1992) 1262-1265
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000762.cif $ #-------------------------------------------------------------------...
2,000,763
11.782
0.002
9.058
0.002
9.766
0.002
90
null
109.3
0.01
90
null
983.7
0.3
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C14 H28 N2 O8 S2 -
- C14 H28 N2 O8 S2 -
- C28 H56 N4 O16 S4 -
2
0.5
BX0561
Paulus, E. F.; Porz, C.
Structure of <i>meso</i>-(<i>R</i>,<i>R</i>,<i>S</i>,<i>S</i>)-<i>trans</i>-4,5,4',5'-tetrahydroxy-2,2'-bi(1,3-thiaoxolane)-dimethylacetamide (1:2)
Acta Crystallographica Section C
1,992
48
7
1267
1269
10.1107/S0108270191014683
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Paulus, E. F.; Porz, C. Structure of <i>meso</i>-(<i>R</i>,<i>R</i>,<i>S</i>,<i>S</i>)-<i>trans</i>-4,5,4',5'-tetrahydroxy-2,2'-bi(1,3-thiaoxolane)-dimethylacetamide (1:2) Acta Crystallographica Section C 48(7) (1992) 1267-1269
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000763.cif $ #-------------------------------------------------------------------...
2,000,764
13.391
0.002
28.817
0.003
6.667
0.002
90
null
97.256
0.017
90
null
2,552.1
0.9
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C29 H37 N O3 -
- C32 H2 N O3 -
- C128 H8 N4 O12 -
4
1
CR0359
Luss, H. R.; Texter, J.
Structure of <i>N</i>-{2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethyl}-1-hydroxy-2-naphthalenecarboxamide
Acta Crystallographica Section C
1,992
48
7
1269
1272
10.1107/S0108270191013847
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Luss, H. R.; Texter, J. Structure of <i>N</i>-{2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethyl}-1-hydroxy-2-naphthalenecarboxamide Acta Crystallographica Section C 48(7) (1992) 1269-1272
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/07/2000764.cif $ #-------------------------------------------------------------------...
7,205,783
9.9881
0.001
31.471
0.003
12.2888
0.0012
90
null
96.147
0.001
90
null
3,840.6
0.7
296
2
296
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C35 H35 Dy3 O23 -
- C35 H31 Dy3 O23 -
- C140 H124 Dy12 O92 -
4
1
Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue
Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties
CrystEngComm
2,011
13
7
2586
10.1039/c0ce00766h
0.71073
MoKα
0.0497
0.0366
null
null
0.0899
0.1021
null
null
null
null
null
1.053
null
null
has coordinates
Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties CrystEngComm 13(7) (20...
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/7/20/57/7205783.cif $ #-------------------------------------------------------------------...
2,000,765
19.307
0.003
19.307
0.003
26.735
0.004
90
null
90
null
120
null
8,631
2
null
null
null
null
null
null
null
null
3
R -3 :H
-R 3
null
- C19 H16 O -
- C38 H30 O2 -
- C912 H720 O48 -
24
1.33333
MU0292
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Low, J. N.; Scrimgeour, S. N.
The structure of triphenylmethanol, Ph~3~COH
Acta Crystallographica Section C
1,992
48
7
1272
1275
10.1107/S0108270191015044
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
warnings
has coordinates
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Low, J. N.; Scrimgeour, S. N. The structure of triphenylmethanol, Ph~3~COH Acta Crystallographica Section C 48(7) (1992) 1272-1275
249,444
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2020-03-17 13:28:01 +0200 (Tue, 17 Mar 2020) $ #$Revision: 249444 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000765.cif $ #-------------------------------------------------------------------...
2,000,766
13.82
0.002
6.205
0.001
17.55
0.003
90
null
106.06
0.01
90
null
1,446.2
0.4
null
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
null
- C12 H20 I N O2 -
- C12 H20 I N O2 -
- C48 H80 I4 N4 O8 -
4
1
CD0061
Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J.
<i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate
Acta Crystallographica Section C
1,992
48
7
1275
1279
10.1107/S0108270191014130
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J. <i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate Acta Crystallographica Section C 48(7) (1992) 1275-1279
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000766.cif $ #-------------------------------------------------------------------...
2,000,767
12.233
0.003
13.733
0.003
14.169
0.006
90
null
112.75
0.03
90
null
2,195.1
1.3
null
null
null
null
null
null
null
null
6
P 1 21/a 1
-P 2yab
null
- C19 H26 I N O4 S -
- C19 H26 I N O4 S -
- C76 H104 I4 N4 O16 S4 -
4
1
CD0061
Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J.
<i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate
Acta Crystallographica Section C
1,992
48
7
1275
1279
10.1107/S0108270191014130
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates,has disorder
Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J. <i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate Acta Crystallographica Section C 48(7) (1992) 1275-1279
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000767.cif $ #-------------------------------------------------------------------...
2,000,768
7.527
0.001
9.157
0.001
9.988
0.001
96.39
0.01
110.4
0.01
93.24
0.01
637.87
0.14
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C28 H30 N4 O2 S2 -
- C28 H30 N4 O2 S2 -
- C28 H30 N4 O2 S2 -
1
0.5
BX0570
Mizuguchi, J.; Rihs, G.
Structures of complexes of 2,3,3a,5,6,6a-hexahydro-3,6-diphenyl-1<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dithione with <i>N</i>-methyl-2-pyrrolidone and dimethyl sulfoxide
Acta Crystallographica Section C
1,992
48
7
1279
1283
10.1107/S0108270191014701
0.70926
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mizuguchi, J.; Rihs, G. Structures of complexes of 2,3,3a,5,6,6a-hexahydro-3,6-diphenyl-1<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dithione with <i>N</i>-methyl-2-pyrrolidone and dimethyl sulfoxide Acta Crystallographica Section C 48(7) (1992) 1279-1283
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000768.cif $ #-------------------------------------------------------------------...
2,000,769
12.674
0.001
10.318
0.001
8.761
0.001
90
null
100.32
0.01
90
null
1,127.14
0.19
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C22 H24 N2 O2 S4 -
- C22 H24 N2 O2 S4 -
- C44 H48 N4 O4 S8 -
2
0.5
BX0570
Mizuguchi, J.; Rihs, G.
Structures of complexes of 2,3,3a,5,6,6a-hexahydro-3,6-diphenyl-1<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dithione with <i>N</i>-methyl-2-pyrrolidone and dimethyl sulfoxide
Acta Crystallographica Section C
1,992
48
7
1279
1283
10.1107/S0108270191014701
0.70926
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mizuguchi, J.; Rihs, G. Structures of complexes of 2,3,3a,5,6,6a-hexahydro-3,6-diphenyl-1<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dithione with <i>N</i>-methyl-2-pyrrolidone and dimethyl sulfoxide Acta Crystallographica Section C 48(7) (1992) 1279-1283
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000769.cif $ #-------------------------------------------------------------------...
7,205,782
10.051
0.004
31.543
0.012
12.42
0.005
90
null
96.082
0.005
90
null
3,915
3
296
2
296
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C35 H35 Gd3 O23 -
- C35 H31 Gd3 O23 -
- C140 H124 Gd12 O92 -
4
1
Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue
Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties
CrystEngComm
2,011
13
7
2586
10.1039/c0ce00766h
0.71073
MoKα
0.0405
0.0339
null
null
0.0734
0.0766
null
null
null
null
null
1.037
null
null
has coordinates
Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties CrystEngComm 13(7) (20...
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/7/20/57/7205782.cif $ #-------------------------------------------------------------------...
2,000,770
23.08
0.03
7.842
0.003
28.081
0.013
90
null
105.97
0.07
90
null
4,886
7
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
null
- C6 H2 Br2 N2 O2 -
- C6 H2 Br2 N2 O2 -
- C144 H48 Br48 N48 O48 -
24
3
CR0354
Britton, D.
The crystal packing of 4,7-dibromobenzofurazan 1-oxide
Acta Crystallographica Section C
1,992
48
7
1283
1285
10.1107/S0108270191014774
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Britton, D. The crystal packing of 4,7-dibromobenzofurazan 1-oxide Acta Crystallographica Section C 48(7) (1992) 1283-1285
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000770.cif $ #-------------------------------------------------------------------...
2,000,771
6.105
0.002
16.634
0.003
14.356
0.003
90
null
90
null
90
null
1,457.9
0.6
null
null
null
null
null
null
null
null
4
P b c n
null
- C18 H15 F2 P -
- C18 H15 F2 P -
- C72 H60 F8 P4 -
4
0.5
HH0563
Doxsee, K. M.; Hanawalt, E. M.; Weakley, T. J. R.
Structure of difluorotriphenylphosphorane
Acta Crystallographica Section C
1,992
48
7
1288
1290
10.1107/S0108270191014889
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Doxsee, K. M.; Hanawalt, E. M.; Weakley, T. J. R. Structure of difluorotriphenylphosphorane Acta Crystallographica Section C 48(7) (1992) 1288-1290
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000771.cif $ #-------------------------------------------------------------------...
2,000,772
13.561
0.004
6.598
0.001
14.108
0.004
90
null
118.37
0.02
90
null
1,110.7
0.5
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C13 H14 O3 -
- C13 H14 O3 -
- C52 H56 O12 -
4
1
HH0572
Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.
Three substituted hexahydro-5,8-dimethanonaphthalenes
Acta Crystallographica Section C
1,992
48
7
1290
1294
10.1107/S0108270191014877
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P. Three substituted hexahydro-5,8-dimethanonaphthalenes Acta Crystallographica Section C 48(7) (1992) 1290-1294
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/2/00/07/2000772.cif $ #-------------------------------------------------------------------...
2,000,773
6.556
0.002
25.739
0.01
7.436
0.005
90
null
111.25
0.04
90
null
1,169.5
1
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C12 H10 Br2 O2 -
- C12 H10 Br2 O2 -
- C48 H40 Br8 O8 -
4
1
HH0572
Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.
Three substituted hexahydro-5,8-dimethanonaphthalenes
Acta Crystallographica Section C
1,992
48
7
1290
1294
10.1107/S0108270191014877
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P. Three substituted hexahydro-5,8-dimethanonaphthalenes Acta Crystallographica Section C 48(7) (1992) 1290-1294
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000773.cif $ #-------------------------------------------------------------------...
2,000,774
10.827
0.004
8.395
0.002
12.997
0.002
90
null
105.34
0.02
90
null
1,139.2
0.5
null
null
null
null
null
null
null
null
3
C 1 c 1
C -2yc
null
- C13 H16 O3 -
- C13 H16 O3 -
- C52 H64 O12 -
4
1
HH0572
Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.
Three substituted hexahydro-5,8-dimethanonaphthalenes
Acta Crystallographica Section C
1,992
48
7
1290
1294
10.1107/S0108270191014877
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P. Three substituted hexahydro-5,8-dimethanonaphthalenes Acta Crystallographica Section C 48(7) (1992) 1290-1294
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000774.cif $ #-------------------------------------------------------------------...
2,000,775
8.604
0.002
14.29
0.004
24.924
0.004
90
null
90
null
90
null
3,064.4
1.2
null
null
null
null
null
null
null
null
6
P b c a
null
- C14 H10 F3 N3 O2 S -
- C14 H10 F3 N3 O2 S -
- C112 H80 F24 N24 O16 S8 -
8
1
CR0380
Wang, X.; Deng, R.; Wu, J.; Chen, Z.
Structure of 2-thionyltrifluoroacetone isonicotinyl hydrazone
Acta Crystallographica Section C
1,992
48
7
1295
1297
10.1107/S0108270191014762
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wang, X.; Deng, R.; Wu, J.; Chen, Z. Structure of 2-thionyltrifluoroacetone isonicotinyl hydrazone Acta Crystallographica Section C 48(7) (1992) 1295-1297
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000775.cif $ #-------------------------------------------------------------------...
7,205,781
10.099
0.002
31.64
0.007
12.45
0.003
90
null
95.854
0.002
90
null
3,957.4
1.5
296
2
296
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C35 H35 Eu3 O23 -
- C35 H31 Eu3 O23 -
- C140 H124 Eu12 O92 -
4
1
Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue
Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties
CrystEngComm
2,011
13
7
2586
10.1039/c0ce00766h
0.71073
MoKα
0.0376
0.0289
null
null
0.0674
0.0779
null
null
null
null
null
1.066
null
null
has coordinates
Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties CrystEngComm 13(7) (20...
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/7/20/57/7205781.cif $ #-------------------------------------------------------------------...
2,000,776
7.44
0.002
7.44
0.002
16.097
0.006
90
null
90
null
90
null
891
0.5
null
null
null
null
null
null
null
null
4
P 4/n c c :1
P 4ab 2n -1ab
130
- Ba Cu O10 Si4 -
- Ba2 Cu4 O10 Si4 -
- Ba8 Cu16 O40 Si16 -
4
0.25
BX0572
Lin, H. C.; Liao, F. L.; Wang, S. L.
Structure of BaCuSi~4~O~10~
Acta Crystallographica Section C
1,992
48
7
1297
1299
10.1107/S0108270192001203
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lin, H. C.; Liao, F. L.; Wang, S. L. Structure of BaCuSi~4~O~10~ Acta Crystallographica Section C 48(7) (1992) 1297-1299
176,343
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-11 02:03:02 +0200 (Thu, 11 Feb 2016) $ #$Revision: 176343 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000776.cif $ #-------------------------------------------------------------------...
2,000,777
7.447
0.001
7.447
0.001
16.138
0.002
90
null
90
null
90
null
895
0.2
null
null
null
null
null
null
null
null
4
P 4/n c c :1
P 4ab 2n -1ab
130
- Ba Cu O10 Si4 -
- Ba Cu O10 Si4 -
- Ba4 Cu4 O40 Si16 -
4
0.25
AB0258
Janczak, J.; Kubiak, R.
Refinement of the structure of barium copper silicate BaCu[Si~4~O~10~] at 300 K
Acta Crystallographica Section C
1,992
48
7
1299
1301
10.1107/S0108270191014580
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Janczak, J.; Kubiak, R. Refinement of the structure of barium copper silicate BaCu[Si~4~O~10~] at 300 K Acta Crystallographica Section C 48(7) (1992) 1299-1301
176,343
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-11 02:03:02 +0200 (Thu, 11 Feb 2016) $ #$Revision: 176343 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000777.cif $ #-------------------------------------------------------------------...
2,000,778
4.41
0.002
4.41
0.002
24.27
0.02
90
null
90
null
120
null
408.8
0.4
null
null
null
null
null
null
null
null
3
R -3 m
-R 3 2"
null
- Er K Te2 -
- Er K Te2 -
- Er3 K3 Te6 -
3
null
ST0551
Keane, P. M.; Ibers, J. A.
Structure of KErTe~2~
Acta Crystallographica Section C
1,992
48
7
1301
1303
10.1107/S0108270191014208
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Keane, P. M.; Ibers, J. A. Structure of KErTe~2~ Acta Crystallographica Section C 48(7) (1992) 1301-1303
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/2/00/07/2000778.cif $ #-------------------------------------------------------------------...
2,000,779
14.902
0.001
10.815
0.004
14.941
0.001
90
null
103.29
0.01
90
null
2,343.5
0.9
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C26 H29 I N2 Pt -
- C26 H29 I N2 Pt -
- C104 H116 I4 N8 Pt4 -
4
1
GE0287
Smeets, W. J. J.; Spek, A. L.; van Beek, J. A. M.; van Koten, G.
Structure of {<i>ad</i>,<i>be</i>-bis[(8-dimethylamino-κ<i>N</i>)naphthyl-κ<i>C</i>^1^]}-<i>f</i>-ethyl-<i>c</i>-iodoplatinum(IV)
Acta Crystallographica Section C
1,992
48
7
1303
1305
10.1107/S0108270192001616
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Smeets, W. J. J.; Spek, A. L.; van Beek, J. A. M.; van Koten, G. Structure of {<i>ad</i>,<i>be</i>-bis[(8-dimethylamino-κ<i>N</i>)naphthyl-κ<i>C</i>^1^]}-<i>f</i>-ethyl-<i>c</i>-iodoplatinum(IV) Acta Crystallographica Section C 48(7) (1992) 1303-1305
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/07/2000779.cif $ #-------------------------------------------------------------------...
2,000,780
12.252
0.003
9.176
0.002
11.974
0.008
90
null
115.06
0.03
90
null
1,219.4
1
null
null
null
null
null
null
null
null
6
P 1 21/a 1
-P 2yab
null
- C12 H32 Cl8 N4 O2 Os -
- C12 H32 Cl8 N4 O2 Os -
- C24 H64 Cl16 N8 O4 Os2 -
2
0.5
AB0247
Arrieta, J. M.; Germain, G.; Vlassi, M.; Craciunescu, D. G.; Parrondo Iglesias, E.; Debaerdemaeker, T.
Bis[2-(2-hydroxyethyl)piperazinium] hexachloroosmate(IV) dichloride
Acta Crystallographica Section C
1,992
48
7
1305
1307
10.1107/S0108270191014117
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Arrieta, J. M.; Germain, G.; Vlassi, M.; Craciunescu, D. G.; Parrondo Iglesias, E.; Debaerdemaeker, T. Bis[2-(2-hydroxyethyl)piperazinium] hexachloroosmate(IV) dichloride Acta Crystallographica Section C 48(7) (1992) 1305-1307
199,607
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-07 04:53:34 +0300 (Mon, 07 Aug 2017) $ #$Revision: 199607 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000780.cif $ #-------------------------------------------------------------------...
2,000,781
8.545
0.003
3.8691
0.001
12.692
0.004
90
null
90
null
90
null
419.6
0.2
null
null
null
null
null
null
null
null
5
P n m a
-P 2ac 2n
62
- C2 H3 Cl Cu N -
- C2 H3 Cl Cu N -
- C8 H12 Cl4 Cu4 N4 -
4
0.5
HA0086
Jones, P. G.
Redetermination of the structure of (acetonitrile)chlorocopper(I) [(H~3~CCN)CuCl] at 178 K
Acta Crystallographica Section C
1,992
48
7
1307
1308
10.1107/S0108270191013926
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jones, P. G. Redetermination of the structure of (acetonitrile)chlorocopper(I) [(H~3~CCN)CuCl] at 178 K Acta Crystallographica Section C 48(7) (1992) 1307-1308
278,244
2022-09-28
13:56:22
#------------------------------------------------------------------------------ #$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278244 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000781.cif $ #-------------------------------------------------------------------...
7,205,780
13.5623
0.0016
7.2662
0.0009
15.2513
0.0013
90
null
123.605
0.007
90
null
1,251.8
0.3
296
2
296
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C22 H16 Cu4 N8 O14 -
- C22 H16 Cu4 N8 O14 -
- C44 H32 Cu8 N16 O28 -
2
0.5
Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun
Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand
CrystEngComm
2,011
13
7
2667
10.1039/c0ce00764a
0.71073
MoKα
0.0301
0.0259
null
null
0.0707
0.0728
null
null
null
null
null
1.045
null
null
has coordinates
Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand CrystEngComm 13(7) (2011) 2667
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205780.cif $ #-------------------------------------------------------------------...
2,000,782
7.674
0.002
11.113
0.003
13.346
0.004
71.64
0.02
79.49
0.02
86.62
0.02
1,062.1
0.5
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C18 H32 O4 Sn -
- C20 H36 O4 Sn -
- C40 H72 O8 Sn2 -
2
1
CD0062
Bélanger-Gariépy, F.; Léger, R.; Hanessian, S.
Structure of a bicyclic organostannane resulting from a trimethyltin hydride addition-cyclization reaction
Acta Crystallographica Section C
1,992
48
7
1309
1310
10.1107/S0108270191013793
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bélanger-Gariépy, F.; Léger, R.; Hanessian, S. Structure of a bicyclic organostannane resulting from a trimethyltin hydride addition-cyclization reaction Acta Crystallographica Section C 48(7) (1992) 1309-1310
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000782.cif $ #-------------------------------------------------------------------...
2,000,783
21.817
0.003
21.817
0.003
30.658
0.005
90
null
90
null
90
null
17,759
5
null
null
null
null
null
null
null
null
6
I -4 2 d
I -4 2bw
null
- C65 H69 F12 N4 P10 Rh2 -
- C65 H69 F12 N4 P6 Rh2 -
- C520 H552 F96 N32 P48 Rh16 -
8
0.5
CR0383
Tortorelli, L. J.; Woods, C.; Campana, C. F.
Structure of the mixed-valence complex [Rh~2~(μ-{(C~6~H~5~)~2~PCH~2~P(C~6~H~5~)~2~})~2~(μ-N~2~C~5~H~7~)(<i>tert</i>-C~4~H~9~NC)~2~](PF~6~)~2~
Acta Crystallographica Section C
1,992
48
7
1311
1312
10.1107/S0108270191014294
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tortorelli, L. J.; Woods, C.; Campana, C. F. Structure of the mixed-valence complex [Rh~2~(μ-{(C~6~H~5~)~2~PCH~2~P(C~6~H~5~)~2~})~2~(μ-N~2~C~5~H~7~)(<i>tert</i>-C~4~H~9~NC)~2~](PF~6~)~2~ Acta Crystallographica Section C 48(7) (1992) 1311-1312
203,310
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-11-18 03:07:15 +0200 (Sat, 18 Nov 2017) $ #$Revision: 203310 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000783.cif $ #-------------------------------------------------------------------...
2,000,784
14.141
0.004
20.209
0.005
14.207
0.004
90
null
95.85
0.03
90
null
4,038.9
1.9
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C37 H22 Au2 F10 P2 -
- C37 H22 Au2 F10 P2 -
- C148 H88 Au8 F40 P8 -
4
1
HA0092
Jones, P. G.; Thöne, C.
μ-[Bis(diphenylphosphino)methane]-bis[pentafluorophenylgold(I)] at 178 K
Acta Crystallographica Section C
1,992
48
7
1312
1314
10.1107/S0108270191014518
0.71069
monoclinic
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jones, P. G.; Thöne, C. μ-[Bis(diphenylphosphino)methane]-bis[pentafluorophenylgold(I)] at 178 K Acta Crystallographica Section C 48(7) (1992) 1312-1314
208,377
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208377 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000784.cif $ #-------------------------------------------------------------------...
2,000,785
8.5402
0.0014
10.0286
0.0016
10.584
0.002
110.221
0.01
95.476
0.01
93.42
0.012
842.6
0.3
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C26 H28 Ag2 Cu I4 N4 O2 -
- C26 H28 Ag2 Cu I4 N4 O2 -
- C26 H28 Ag2 Cu I4 N4 O2 -
1
0.5
HA0094
Jones, P. G.
Bis[1,1-di(2-pyridyl)ethyl methyl ether-<i>N</i>,<i>N</i>',<i>O</i>]copper(II) di-μ-iodo-bis[iodoargentate(I)]
Acta Crystallographica Section C
1,992
48
7
1314
1315
10.1107/S0108270191014506
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jones, P. G. Bis[1,1-di(2-pyridyl)ethyl methyl ether-<i>N</i>,<i>N</i>',<i>O</i>]copper(II) di-μ-iodo-bis[iodoargentate(I)] Acta Crystallographica Section C 48(7) (1992) 1314-1315
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000785.cif $ #-------------------------------------------------------------------...
2,000,786
10.2
0.02
13.55
0.04
7.98
0.01
90.7
0.2
99.7
0.2
105.1
0.2
1,048
4
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C21 H16 Cl Cu N5 O5 -
- C21 H16 Cl Cu N5 O5 -
- C42 H32 Cl2 Cu2 N10 O10 -
2
1
AL0480
McAuliffe, C. A.; Pritchard, R. G.; Bermejo, M. R.; Garcia-Vazquez, A.; Macias, A.; Sanmartín, J.; Romero, J.; Sousa, A.
Bis(2,2'-bipyridine)isocyanatocopper(II) perchlorate
Acta Crystallographica Section C
1,992
48
7
1316
1317
10.1107/S010827019101449X
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
McAuliffe, C. A.; Pritchard, R. G.; Bermejo, M. R.; Garcia-Vazquez, A.; Macias, A.; Sanmartín, J.; Romero, J.; Sousa, A. Bis(2,2'-bipyridine)isocyanatocopper(II) perchlorate Acta Crystallographica Section C 48(7) (1992) 1316-1317
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000786.cif $ #-------------------------------------------------------------------...
7,205,779
26.982
0.008
7.503
0.002
15.853
0.004
90
null
109.316
0.007
90
null
3,028.7
1.4
296
2
296
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C12 H9 Cu2.5 N4 O10 -
- C12 H9 Cu2.5 N4 O10 -
- C96 H72 Cu20 N32 O80 -
8
1
Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun
Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand
CrystEngComm
2,011
13
7
2667
10.1039/c0ce00764a
0.71073
MoKα
0.0246
0.0227
null
null
0.0626
0.0637
null
null
null
null
null
1.062
null
null
has coordinates
Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand CrystEngComm 13(7) (2011) 2667
176,453
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205779.cif $ #-------------------------------------------------------------------...
2,000,787
11.268
0.003
12.815
0.003
13.72
0.004
107.37
0.01
98.15
0.02
110.42
0.01
1,703.7
0.8
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C17 H22 N5 O2 -
- C17 H22 N5 O1.5 -
- C68 H88 N20 O6 -
4
2
PA0256
Dupont, L.; Englebert, S.; Dideberg, O.; Liégeois, J. F.; Delarge, J.
Structure du 6-(4-méthylpipérazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazépine 1,5-hydrate
Acta Crystallographica Section C
1,992
48
7
1322
1324
10.1107/S0108270191013744
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dupont, L.; Englebert, S.; Dideberg, O.; Liégeois, J. F.; Delarge, J. Structure du 6-(4-méthylpipérazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazépine 1,5-hydrate Acta Crystallographica Section C 48(7) (1992) 1322-1324
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000787.cif $ #-------------------------------------------------------------------...
2,000,788
5.63
0.001
9.341
0.002
15.531
0.003
90
null
98.4
0.01
90
null
808
0.3
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C11 H8 O2 -
- C11 H8 O2 -
- C44 H32 O8 -
4
1
AL0517
Maniukiewicz, W.; Bukowska-Strzyżewska, M.
Structure of 2-hydroxy-1-naphthaldehyde
Acta Crystallographica Section C
1,992
48
7
1324
1326
10.1107/S0108270191013628
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maniukiewicz, W.; Bukowska-Strzyżewska, M. Structure of 2-hydroxy-1-naphthaldehyde Acta Crystallographica Section C 48(7) (1992) 1324-1326
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000788.cif $ #-------------------------------------------------------------------...
2,000,789
9.149
0.002
10.934
0.001
12.064
0.001
90
null
93.14
0.01
90
null
1,205
0.3
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
null
- C10 H18 N2 O3 -
- C10 H18 N2 O3 -
- C40 H72 N8 O12 -
4
1
AS0509
Okabe, N.; Tatsumi, M.; Sasaki, Y.
Structure of <small>DL</small>-desthiobiotin
Acta Crystallographica Section C
1,992
48
7
1326
1327
10.1107/S010827019101380X
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Okabe, N.; Tatsumi, M.; Sasaki, Y. Structure of <small>DL</small>-desthiobiotin Acta Crystallographica Section C 48(7) (1992) 1326-1327
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000789.cif $ #-------------------------------------------------------------------...
2,000,790
12.301
0.003
13.3
0.004
10.817
0.003
90
null
110.94
0.02
90
null
1,652.8
0.8
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C16 H14 Cl N3 O5 -
- C16 H14 Cl N3 O5 -
- C64 H56 Cl4 N12 O20 -
4
1
CR0377
Boggess, R. K.
Monoprotonated perchlorate salt of tris(2-pyridyl)methanol
Acta Crystallographica Section C
1,992
48
7
1327
1329
10.1107/S0108270191013860
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boggess, R. K. Monoprotonated perchlorate salt of tris(2-pyridyl)methanol Acta Crystallographica Section C 48(7) (1992) 1327-1329
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000790.cif $ #-------------------------------------------------------------------...
2,000,791
10.936
0.002
8.846
0.001
14.6
0.003
89.08
0.02
105.16
0.02
100.12
0.02
1,341.4
0.4
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C30 H33 N3 O5 -
- C30 H33 N3 O5 -
- C60 H66 N6 O10 -
2
1
PA0252
Theobald, F.; Rodier, N.; Moustaid, K.; Nguyen Dinh An; Laude, B.
Structure of ethyl 1-<i>p</i>-anisyl-7,8-dimethoxy-4,5-dimethyl-3-phenyl-3a,4,5,9b-tetrahydropyrazolo[3,4-<i>c</i>]isoquinoline-3a-carboxylate
Acta Crystallographica Section C
1,992
48
7
1329
1331
10.1107/S0108270191013719
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Theobald, F.; Rodier, N.; Moustaid, K.; Nguyen Dinh An; Laude, B. Structure of ethyl 1-<i>p</i>-anisyl-7,8-dimethoxy-4,5-dimethyl-3-phenyl-3a,4,5,9b-tetrahydropyrazolo[3,4-<i>c</i>]isoquinoline-3a-carboxylate Acta Crystallographica Section C 48(7) (1992) 1329-1331
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000791.cif $ #-------------------------------------------------------------------...
7,205,778
9.824
0.005
10.017
0.006
11.36
0.007
111.68
0.02
96.45
0.02
94.56
0.02
1,023.3
1
291
2
291
2
null
null
null
null
6
P -1
-P 1
2
- C14 H14 Cu Mo3 N4 O9.5 -
- C14 H14 Cu Mo3 N4 O9.5 -
- C28 H28 Cu2 Mo6 N8 O19 -
2
1
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin
Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains
CrystEngComm
2,011
13
10
3526
10.1039/c0ce00761g
0.71073
MoKα
0.0384
0.0313
null
null
0.0777
0.0898
null
null
null
null
null
1.136
null
null
has coordinates
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains CrystEngComm 13(10) (2011) 3526
176,453
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205778.cif $ #-------------------------------------------------------------------...
2,000,792
5.4732
null
8.6274
null
19.4255
null
90
null
90
null
90
null
917.262
null
null
null
null
null
null
null
null
null
5
P b c 21
P 2c -2b
29
N-benzylmethanesulfonamide
- C8 H11 N O2 S -
- C8 H11 N O2 S -
- C32 H44 N4 O8 S4 -
4
1
HA0085
Elmore, D. T.; Jones, J. H.; Raissi, M.; Prout, K.
<i>N</i>-Benzylmethanesulfonamide
Acta Crystallographica Section C
1,992
48
7
1331
1333
10.1107/S0108270191013987
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Elmore, D. T.; Jones, J. H.; Raissi, M.; Prout, K. <i>N</i>-Benzylmethanesulfonamide Acta Crystallographica Section C 48(7) (1992) 1331-1333
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000792.cif $ #-------------------------------------------------------------------...
2,000,793
9.203
0.003
9.81
0.03
12.705
0.006
90
null
90
null
90
null
1,147
4
null
null
null
null
null
null
null
null
3
P b c a
null
- C10 H2 F12 -
- C10 H2 F12 -
- C40 H8 F48 -
4
0.5
ST0561
Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E.
Structure of 1,2,4,5-tetrakis(trifluoromethyl)benzene
Acta Crystallographica Section C
1,992
48
7
1339
1341
10.1107/S0108270191013963
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E. Structure of 1,2,4,5-tetrakis(trifluoromethyl)benzene Acta Crystallographica Section C 48(7) (1992) 1339-1341
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000793.cif $ #-------------------------------------------------------------------...
2,000,794
20.301
0.005
8.952
0.002
14.707
0.006
90
null
90
null
90
null
2,672.8
1.4
null
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
null
- C12 H16 O5 S -
- C12 H16 O5 S -
- C96 H128 O40 S8 -
8
1
AB0261
Frydenvang, K.; Jensen, B.
Structure of <i>cis</i>-2-methyl-4-tosyloxymethyl-1,3-dioxolane
Acta Crystallographica Section C
1,992
48
7
1341
1343
10.1107/S0108270191014622
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Frydenvang, K.; Jensen, B. Structure of <i>cis</i>-2-methyl-4-tosyloxymethyl-1,3-dioxolane Acta Crystallographica Section C 48(7) (1992) 1341-1343
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000794.cif $ #-------------------------------------------------------------------...
2,000,795
6.7895
0.0009
22.054
0.002
9.713
0.001
90
null
103.5
0.01
90
null
1,414.2
0.3
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C11 H16 N4 O8 -
- C11 H16 N4 O8 -
- C44 H64 N16 O32 -
4
1
AB0260
Frydenvang, K.; Jensen, B.; Nielsen, K.
Structure of choline picrate
Acta Crystallographica Section C
1,992
48
7
1343
1345
10.1107/S0108270191014610
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Frydenvang, K.; Jensen, B.; Nielsen, K. Structure of choline picrate Acta Crystallographica Section C 48(7) (1992) 1343-1345
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/07/2000795.cif $ #-------------------------------------------------------------------...
7,205,777
17.4554
0.0007
19.3865
0.0008
25.0002
0.0011
90
null
105.521
0.001
90
null
8,151.5
0.6
296
2
296
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
- C56 H56 Cu4 Ge Mo12 N16 O40 -
- C56 H56 Cu4 Ge Mo12 N16 O40 -
- C224 H224 Cu16 Ge4 Mo48 N64 O160 -
4
0.5
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin
Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains
CrystEngComm
2,011
13
10
3526
10.1039/c0ce00761g
0.71073
MoKα
0.0781
0.0575
null
null
0.1301
0.1442
null
null
null
null
null
1.014
null
null
has coordinates
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains CrystEngComm 13(10) (2011) 3526
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205777.cif $ #-------------------------------------------------------------------...
2,000,796
15.603
0.003
13.7397
0.0006
23.717
0.005
90
null
90.28
0.015
90
null
5,084.4
1.5
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C17 H15 Cl10 N3 O2 -
- C17 H15 Cl10 N3 O2 -
- C136 H120 Cl80 N24 O16 -
8
2
GE0296
Kanters, J. A.; ter Horst, E. H.; Grech, E.
Structure of [<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium(1+) pentachlorophenolate(1-) pentachlorophenol]~2~
Acta Crystallographica Section C
1,992
48
7
1345
1347
10.1107/S010827019101435X
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kanters, J. A.; ter Horst, E. H.; Grech, E. Structure of [<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium(1+) pentachlorophenolate(1-) pentachlorophenol]~2~ Acta Crystallographica Section C 48(7) (1992) 1345-1347
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000796.cif $ #-------------------------------------------------------------------...
2,000,797
7.825
0.001
14.254
0.001
18.91
0.002
90
null
90
null
90
null
2,109.2
0.4
293
null
293
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
ent-3α,11b-Diacetoxy-2β-hydroxy-16-oxo-17,20-dinor-9α,15α- cyclogibberell- 1(10)-ene-7,19-dioic Acid 7-Methyl Ester 19,2-Lactone
- C23 H24 O9 -
- C23 H24 O9 -
- C92 H96 O36 -
4
1
HL1000
Furber, M.; Mander, L. N.; Patrick, G. L.; Willis, A. C.
A 9,5-cyclogibberellin formed from a bromogibberellin-16-one derivative
Acta Crystallographica Section C
1,992
48
7
1348
1350
10.1107/S0108270192003767
0.71069
MoKαradiation
0.059
0.04
null
0.056
0.048
null
null
null
1.352
1.419
1.419
null
null
null
has coordinates
Furber, M.; Mander, L. N.; Patrick, G. L.; Willis, A. C. A 9,5-cyclogibberellin formed from a bromogibberellin-16-one derivative Acta Crystallographica Section C 48(7) (1992) 1348-1350
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/2/00/07/2000797.cif $ #-------------------------------------------------------------------...
2,000,798
6.292
0.001
12.329
0.001
9.233
0.001
90
null
105.91
0.01
90
null
688.8
0.15
293
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
null
- F2 H20 N2 Ni O12 P2 -
- F2 H20 N2 Ni O12 P2 -
- F4 H40 N4 Ni2 O24 P4 -
2
0.5
AL1003
Berraho, M.; R'Kha, C.; Vegas, A.; Rafiq, M.
Structure of Ni(H~2~O)~6~(NH~4~)~2~(PO~3~F)~2~
Acta Crystallographica Section C
1,992
48
7
1350
1352
10.1107/S0108270192003044
0.7107
MoKα
null
0.03
null
null
0.034
null
null
null
null
0.996
0.996
null
null
null
has coordinates
Berraho, M.; R'Kha, C.; Vegas, A.; Rafiq, M. Structure of Ni(H~2~O)~6~(NH~4~)~2~(PO~3~F)~2~ Acta Crystallographica Section C 48(7) (1992) 1350-1352
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000798.cif $ #-------------------------------------------------------------------...
2,000,799
8.767
0.001
7.117
0.002
7.26
0.002
90
null
110.23
0.02
90
null
425.04
0.18
293
null
293
null
null
null
null
null
4
P 1 n 1
P -2yac
7
(±)-cis-6-Acetylamino-5-hydroxy-1,3-dioxepane
- C7 H13 N O4 -
- C7 H13 N O4 -
- C14 H26 N2 O8 -
2
1
AB1006
Vinković, M.; Dumić, M.; Kamenar, B.
(±)-<i>cis</i>-6-Acetylamino-5-hydroxy-1,3-dioxepane
Acta Crystallographica Section C
1,992
48
7
1352
1354
10.1107/S0108270192003755
0.7101
MoKα
0.036
0.032
null
0.045
0.041
null
null
null
0.7691
0.7693
0.7693
null
null
null
has coordinates
Vinković, M.; Dumić, M.; Kamenar, B. (±)-<i>cis</i>-6-Acetylamino-5-hydroxy-1,3-dioxepane Acta Crystallographica Section C 48(7) (1992) 1352-1354
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/07/2000799.cif $ #-------------------------------------------------------------------...
7,205,776
17.455
0.004
19.421
0.004
25.063
0.005
90
null
105.5
0.03
90
null
8,187
3
291
2
291
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
- C56 H56 Cu4 N16 O40 Si W12 -
- C56 H56 Cu4 N16 O40 Si W12 -
- C224 H224 Cu16 N64 O160 Si4 W48 -
4
0.5
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin
Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains
CrystEngComm
2,011
13
10
3526
10.1039/c0ce00761g
0.71073
MoKα
0.0734
0.0654
null
null
0.1336
0.1371
null
null
null
null
null
1.195
null
null
has coordinates
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains CrystEngComm 13(10) (2011) 3526
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205776.cif $ #-------------------------------------------------------------------...
2,000,800
8.86
0.008
11.007
0.002
16.316
0.004
90
null
90
null
90
null
1,591.2
1.5
293
null
null
null
null
null
null
null
5
P n n 2
P 2 -2n
null
- C14 H11 Fe N2 O10 -
- C14 H11 Fe N2 O10 -
- C56 H44 Fe4 N8 O40 -
4
1
DU1001
Cousson, A.; Nectoux, F.; Rizkalla, E. N.
Structure of bis(dipicolinato)ferrate(III) dihydrate
Acta Crystallographica Section C
1,992
48
7
1354
1357
10.1107/S0108270192002877
0.71069
MoKα
null
0.041
null
null
0.04
null
null
null
null
2.15
2.15
null
null
null
has coordinates
Cousson, A.; Nectoux, F.; Rizkalla, E. N. Structure of bis(dipicolinato)ferrate(III) dihydrate Acta Crystallographica Section C 48(7) (1992) 1354-1357
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/2/00/08/2000800.cif $ #-------------------------------------------------------------------...
2,000,801
5.135
0.001
5.135
0.001
33.882
0.005
90
null
90
null
90
null
893.4
0.4
293
null
null
null
null
null
null
null
5
I 41/a
-I 4ad
null
- As Ca2 O12 W2 Y -
- As Ca2 O12 W2 Y -
- As4 Ca8 O48 W8 Y4 -
4
null
NA1005
Demartin, F.; Gramaccioli, C. M.; Pilati, T.
Structure of a new natural tungstate arsenate, [Ca~2~Y(AsO~4~)(WO~4~)~2~], structurally related to scheelite
Acta Crystallographica Section C
1,992
48
7
1357
1359
10.1107/S0108270192003688
0.71073
MoKα
null
0.024
null
null
0.027
null
null
null
null
1.104
1.104
null
null
null
has coordinates
Demartin, F.; Gramaccioli, C. M.; Pilati, T. Structure of a new natural tungstate arsenate, [Ca~2~Y(AsO~4~)(WO~4~)~2~], structurally related to scheelite Acta Crystallographica Section C 48(7) (1992) 1357-1359
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/2/00/08/2000801.cif $ #-------------------------------------------------------------------...
2,000,802
10.928
0.004
37.398
0.004
6.139
0.004
90
null
90
null
90
null
2,508.9
1.9
297
null
297
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
16-(p-butoxybenzylidene)androsta-1,4-diene-3,17-dione
- C30 H36 O3 -
- C30 H36 O3 -
- C120 H144 O12 -
4
1
HL1004
Ogawa, K.; Yoshimura, S.; Kaji, M.; Kagawa, H.; Kakuta, A.
16-(<i>p</i>-Butoxybenzylidene)androsta-1,4-diene-3,17-dione
Acta Crystallographica Section C
1,992
48
7
1359
1361
10.1107/S0108270192003925
1.54184
0.057
0.05
null
0.059
0.058
null
null
null
2.441
2.58
2.58
null
null
null
has coordinates
Ogawa, K.; Yoshimura, S.; Kaji, M.; Kagawa, H.; Kakuta, A. 16-(<i>p</i>-Butoxybenzylidene)androsta-1,4-diene-3,17-dione Acta Crystallographica Section C 48(7) (1992) 1359-1361
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000802.cif $ #-------------------------------------------------------------------...
2,000,803
19.72
0.009
7.703
0.003
7.753
0.003
90
null
96.57
0.04
90
null
1,170
0.8
178
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
null
- C4 Ag2 N4 S4 Zn -
- C4 Ag2 N4 S4 Zn -
- C16 Ag8 N16 S16 Zn4 -
4
0.5
HA1006
Jones, P. G.; Bembenek, E.
Redetermination of the structure of zinc disilver(I) tetrathiocyanate (at 178 K)
Acta Crystallographica Section C
1,992
48
7
1361
1362
10.1107/S0108270192003986
0.71069
MoKα
null
0.026
null
null
0.03
null
null
null
null
1.6
1.6
null
null
null
has coordinates
Jones, P. G.; Bembenek, E. Redetermination of the structure of zinc disilver(I) tetrathiocyanate (at 178 K) Acta Crystallographica Section C 48(7) (1992) 1361-1362
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/2/00/08/2000803.cif $ #-------------------------------------------------------------------...
2,000,804
28.795
0.003
8.887
0.001
12.139
0.001
90
null
103.17
0.01
90
null
3,024.7
0.5
293
null
293
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
2-(tert-butyl)-cis-5-(p-chlorophenylthio)-trans-5-methyl-1,3-dioxolan-4-one
- C14 H17 Cl O3 S -
- C14 H17 Cl O3 S -
- C112 H136 Cl8 O24 S8 -
8
1
HL1010
Beckwith, A. L. J.; Chai, C. L. L.; Willis, A. C.
2-(<i>tert</i>-Butyl)-<i>cis</i>-5-(<i>p</i>-chlorophenylthio)-<i>trans</i>-5-methyl-1,3-dioxolan-4-one
Acta Crystallographica Section C
1,992
48
7
1362
1364
10.1107/S0108270192004165
0.71069
molybdenumKα
0.061
0.031
null
0.047
0.039
null
null
null
1.258
1.311
1.311
null
null
null
has coordinates
Beckwith, A. L. J.; Chai, C. L. L.; Willis, A. C. 2-(<i>tert</i>-Butyl)-<i>cis</i>-5-(<i>p</i>-chlorophenylthio)-<i>trans</i>-5-methyl-1,3-dioxolan-4-one Acta Crystallographica Section C 48(7) (1992) 1362-1364
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000804.cif $ #-------------------------------------------------------------------...
7,205,775
17.473
0.003
19.379
0.004
24.951
0.005
90
null
105.36
0.03
90
null
8,147
3
291
2
291
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
- C56 H56 Cu4 Mo12 N16 O40 Si -
- C56 H56 Cu4 Mo12 N16 O40 Si -
- C224 H224 Cu16 Mo48 N64 O160 Si4 -
4
0.5
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin
Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains
CrystEngComm
2,011
13
10
3526
10.1039/c0ce00761g
0.71073
MoKα
0.0725
0.0696
null
null
0.172
0.1739
null
null
null
null
null
1.093
null
null
has coordinates
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains CrystEngComm 13(10) (2011) 3526
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205775.cif $ #-------------------------------------------------------------------...
2,000,805
7.651
0.002
21.79
0.01
6.689
0.002
90
null
113.85
0.03
90
null
1,020
1
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- H16 N2 O13 P2 Te -
- H13 N2 O10 P2 Te0.5 -
- H52 N8 O40 P8 Te2 -
4
1
PA0258
Averbuch-Pouchot, M. T.; Durif, A.
Structure of an adduct between diammonium dihydrogendiphoshate and telluric acid: (NH~4~)~2~H~2~P~2~O~7~.Te(OH)~6~
Acta Crystallographica Section C
1,992
48
6
973
975
10.1107/S0108270191013604
0.5608
Ag
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M. T.; Durif, A. Structure of an adduct between diammonium dihydrogendiphoshate and telluric acid: (NH~4~)~2~H~2~P~2~O~7~.Te(OH)~6~ Acta Crystallographica Section C 48(6) (1992) 973-975
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/08/2000805.cif $ #-------------------------------------------------------------------...
2,000,806
5.616
0.002
10.062
0.001
8.727
0.001
90
null
90.9
0.02
90
null
493.09
0.19
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- Ba O6 P V -
- Ba O6 P V -
- Ba4 O24 P4 V4 -
4
1
BR0009
Kang, H. Y.; Wang, S. L.; Lii, K. H.
Hydrothermal synthesis and structures of two layered dioxovanadium(V) phosphates <i>A</i>(VO~2~)PO~4~ (<i>A</i> = Ba, Sr)
Acta Crystallographica Section C
1,992
48
6
975
978
10.1107/S0108270191014038
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kang, H. Y.; Wang, S. L.; Lii, K. H. Hydrothermal synthesis and structures of two layered dioxovanadium(V) phosphates <i>A</i>(VO~2~)PO~4~ (<i>A</i> = Ba, Sr) Acta Crystallographica Section C 48(6) (1992) 975-978
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/2/00/08/2000806.cif $ #-------------------------------------------------------------------...
2,000,807
5.43
0.001
9.846
0.002
8.517
0.002
90
null
90.6
0.02
90
null
455.33
0.16
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- O6 P Sr V -
- O6 P Sr V -
- O24 P4 Sr4 V4 -
4
1
BR0009
Kang, H. Y.; Wang, S. L.; Lii, K. H.
Hydrothermal synthesis and structures of two layered dioxovanadium(V) phosphates <i>A</i>(VO~2~)PO~4~ (<i>A</i> = Ba, Sr)
Acta Crystallographica Section C
1,992
48
6
975
978
10.1107/S0108270191014038
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kang, H. Y.; Wang, S. L.; Lii, K. H. Hydrothermal synthesis and structures of two layered dioxovanadium(V) phosphates <i>A</i>(VO~2~)PO~4~ (<i>A</i> = Ba, Sr) Acta Crystallographica Section C 48(6) (1992) 975-978
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/2/00/08/2000807.cif $ #-------------------------------------------------------------------...
7,205,774
19.675
0.002
36.612
0.0013
27.69
0.003
90
null
134.453
0.019
90
null
14,238
5
291
2
291
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C42 H42 Cu3 Mo12 N12 O40 P -
- C42 H42 Cu3 Mo12 N12 O40 P -
- C336 H336 Cu24 Mo96 N96 O320 P8 -
8
2
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin
Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains
CrystEngComm
2,011
13
10
3526
10.1039/c0ce00761g
0.71073
MoKα
0.0789
0.0489
null
null
0.0931
0.1049
null
null
null
null
null
1.027
null
null
has coordinates
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains CrystEngComm 13(10) (2011) 3526
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205774.cif $ #-------------------------------------------------------------------...
2,000,808
12.45
0.002
12.727
0.003
12.694
0.002
90
null
97.99
0.01
90
null
1,991.9
0.7
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- As2 Ba3 H14 O7 S8 -
- As2 Ba3 H14 O7 S8 -
- As8 Ba12 H56 O28 S32 -
4
1
SE0081
Mereiter, K.; Preisinger, A.
Structure of Ba~3~(AsS~4~)~2~.7H~2~O at 125 K
Acta Crystallographica Section C
1,992
48
6
984
987
10.1107/S0108270191013938
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mereiter, K.; Preisinger, A. Structure of Ba~3~(AsS~4~)~2~.7H~2~O at 125 K Acta Crystallographica Section C 48(6) (1992) 984-987
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/08/2000808.cif $ #-------------------------------------------------------------------...
2,000,809
11.996
0.005
15.298
0.006
16.508
0.009
90
null
105.4
0.03
90
null
2,921
2
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C32 H28 Cr O4 P2 -
- C32 H28 Cr O4 P2 -
- C128 H112 Cr4 O16 P8 -
4
1
AS0545
Ueng, C.-H.; Shih, G.-Y.
Structures of [1,4-bis(diphenylphosphino)butane]tetracarbonylchromium(0) (1) and [1,4-bis(diphenylphosphino)butane]tetracarbonyltungsten(0) (2)
Acta Crystallographica Section C
1,992
48
6
988
991
10.1107/S0108270191012404
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ueng, C.-H.; Shih, G.-Y. Structures of [1,4-bis(diphenylphosphino)butane]tetracarbonylchromium(0) (1) and [1,4-bis(diphenylphosphino)butane]tetracarbonyltungsten(0) (2) Acta Crystallographica Section C 48(6) (1992) 988-991
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/08/2000809.cif $ #-------------------------------------------------------------------...
2,000,810
12.055
0.001
15.352
0.005
16.544
0.004
90
null
104.68
0.02
90
null
2,961.8
1.3
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C32 H28 O4 P2 W -
- C32 H28 O4 P2 W -
- C128 H112 O16 P8 W4 -
4
1
AS0545
Ueng, C.-H.; Shih, G.-Y.
Structures of [1,4-bis(diphenylphosphino)butane]tetracarbonylchromium(0) (1) and [1,4-bis(diphenylphosphino)butane]tetracarbonyltungsten(0) (2)
Acta Crystallographica Section C
1,992
48
6
988
991
10.1107/S0108270191012404
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ueng, C.-H.; Shih, G.-Y. Structures of [1,4-bis(diphenylphosphino)butane]tetracarbonylchromium(0) (1) and [1,4-bis(diphenylphosphino)butane]tetracarbonyltungsten(0) (2) Acta Crystallographica Section C 48(6) (1992) 988-991
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/08/2000810.cif $ #-------------------------------------------------------------------...
2,000,811
5.161
0.002
12.251
0.004
11.266
0.003
90
null
94.87
0.02
90
null
709.7
0.4
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C4 H11 Ge N O4 -
- C4 H11 Ge N O4 -
- C16 H44 Ge4 N4 O16 -
4
1
AS0538
Chiang, H.-C.; Lin, S.-M.; Ueng, C.-H.
Synthesis and structure of dihydroxo(η^3^-2,2'-iminodiethoxo)germanium(IV)
Acta Crystallographica Section C
1,992
48
6
991
993
10.1107/S0108270191012398
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chiang, H.-C.; Lin, S.-M.; Ueng, C.-H. Synthesis and structure of dihydroxo(η^3^-2,2'-iminodiethoxo)germanium(IV) Acta Crystallographica Section C 48(6) (1992) 991-993
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/08/2000811.cif $ #-------------------------------------------------------------------...
7,205,773
16.504
0.003
25.01
0.005
26.843
0.009
90
null
116.46
0.02
90
null
9,919
5
291
2
291
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C70 H72 B Cu5 N20 O41 W12 -
- C70 H72 B Cu5 N20 O41 W12 -
- C280 H288 B4 Cu20 N80 O164 W48 -
4
1
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin
Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains
CrystEngComm
2,011
13
10
3526
10.1039/c0ce00761g
0.71073
MoKα
0.0712
0.0441
null
null
0.0806
0.0891
null
null
null
null
null
1.022
null
null
has coordinates
Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains CrystEngComm 13(10) (2011) 3526
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205773.cif $ #-------------------------------------------------------------------...
2,000,812
12.583
0.007
12.667
0.008
13.08
0.008
76.59
0.04
86.72
0.04
79.34
0.04
1,993
2
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C78 H72 I6 In2 P6 -
- C78 H72 I6 In2 P6 -
- C78 H72 I6 In2 P6 -
1
0.5
LI0104
Degnan, I. A.; Alcock, N. W.; Roe, S. M.; Wallbridge, M. G. H.
Structures of adducts formed by indium(III) halides and phosphine ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)] and trichlorobis(trimethylphosphine)indium(III)
Acta Crystallographica Section C
1,992
48
6
995
999
10.1107/S0108270191013033
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Degnan, I. A.; Alcock, N. W.; Roe, S. M.; Wallbridge, M. G. H. Structures of adducts formed by indium(III) halides and phosphine ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)] and trichlorobis(trimethylphosphine)indium(III) Acta Crystallographica Section C 48(6) (1992) 995-999
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000812.cif $ #-------------------------------------------------------------------...
2,000,813
10.418
0.008
10.769
0.009
13.808
0.009
90
null
90
null
90
null
1,549
2
null
null
null
null
null
null
null
null
5
P n m a
-P 2ac 2n
62
- C6 H18 Cl3 In P2 -
- C6 H18 Cl3 In P2 -
- C24 H72 Cl12 In4 P8 -
4
0.5
LI0104
Degnan, I. A.; Alcock, N. W.; Roe, S. M.; Wallbridge, M. G. H.
Structures of adducts formed by indium(III) halides and phosphine ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)] and trichlorobis(trimethylphosphine)indium(III)
Acta Crystallographica Section C
1,992
48
6
995
999
10.1107/S0108270191013033
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Degnan, I. A.; Alcock, N. W.; Roe, S. M.; Wallbridge, M. G. H. Structures of adducts formed by indium(III) halides and phosphine ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)] and trichlorobis(trimethylphosphine)indium(III) Acta Crystallographica Section C 48(6) (1992) 995-999
278,244
2022-09-28
13:56:22
#------------------------------------------------------------------------------ #$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278244 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000813.cif $ #-------------------------------------------------------------------...
2,000,814
10.058
0.001
14.182
0.003
17.988
0.003
90
null
97.94
0.02
90
null
2,541.3
0.7
null
null
null
null
null
null
null
null
7
P 1 21/c 1
-P 2ybc
null
- C20 H9 I N O9 P Ru3 -
- C20 H9 I N O9 P Ru3 -
- C80 H36 I4 N4 O36 P4 Ru12 -
4
1
PA0254
Lugan, N.; Lavigne, G.; Bonnet, J.-J.
Structural characterization of 1,1,1,2,2,2,3,3,3-nonacarbonyl-1,2-μ-iodo-1,2,3-[μ~3~-(phenylpyridylphosphido)-μ-<i>P</i>,<i>N</i>]-<i>triangulo</i>-triruthenium
Acta Crystallographica Section C
1,992
48
6
999
1002
10.1107/S010827019101260X
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lugan, N.; Lavigne, G.; Bonnet, J.-J. Structural characterization of 1,1,1,2,2,2,3,3,3-nonacarbonyl-1,2-μ-iodo-1,2,3-[μ~3~-(phenylpyridylphosphido)-μ-<i>P</i>,<i>N</i>]-<i>triangulo</i>-triruthenium Acta Crystallographica Section C 48(6) (1992) 999-1002
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/2/00/08/2000814.cif $ #-------------------------------------------------------------------...
7,205,772
5.9666
0.0002
8.7396
0.0002
19.1354
0.0006
90
null
92.854
0.002
90
null
996.59
0.05
100
0.1
100
0.1
null
null
null
null
synthesis as described
4
P 1 21/c 1
-P 2ybc
14
- C2 H7 N3 S -
- C2 H7 N3 S -
- C16 H56 N24 S8 -
8
2
Francuski, Bojana M.; Novaković, Sladjana B.; Bogdanović, Goran A.
Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Experimental charge density study of 4-methyl-3-thiosemicarbazide
CrystEngComm
2,011
13
10
3580
10.1039/c0ce00760a
0.71073
MoKα
0.0295
0.0178
null
null
0.0385
0.0199
null
null
null
null
null
0.817
null
null
has coordinates
Francuski, Bojana M.; Novaković, Sladjana B.; Bogdanović, Goran A. Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Experimental charge density study of 4-methyl-3-thiosemicarbazide CrystEngComm 13(10) (2011) 3580
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205772.cif $ #-------------------------------------------------------------------...
2,000,815
26.374
0.003
12.22
0.002
16.278
0.003
90
null
90
null
90
null
5,246.2
1.4
null
null
null
null
null
null
null
null
6
F d d 2
F 2 -2d
null
- C26 H26 Cl2 N2 O2 Zn -
- C32 H12 Cl2 N2 O2 Zn -
- C256 H96 Cl16 N16 O16 Zn8 -
8
0.5
BX0556
Hajjem, B.; Kallel, A.; Svoboda, I.; Sakurai, J.
Structure of di(5-β-methylallyl-2-phenyl-1,3-oxazole)zinc(II) dichloride
Acta Crystallographica Section C
1,992
48
6
1002
1004
10.1107/S0108270191013343
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hajjem, B.; Kallel, A.; Svoboda, I.; Sakurai, J. Structure of di(5-β-methylallyl-2-phenyl-1,3-oxazole)zinc(II) dichloride Acta Crystallographica Section C 48(6) (1992) 1002-1004
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/2/00/08/2000815.cif $ #-------------------------------------------------------------------...
2,000,816
7.761
0.005
20.578
0.01
15.634
0.011
90
null
103.1
0.06
90
null
2,432
3
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C13 H12 Mn N O2 -
- C13 H12 Mn N O2 -
- C104 H96 Mn8 N8 O16 -
8
2
AB0251
Crocock, B.; Long, C.; Howie, R. A.
The synthesis and structure of the pyridine-substituted derivative of tricarbonyl(η^5^-methylcyclopentadienyl)manganese(I)
Acta Crystallographica Section C
1,992
48
6
1004
1007
10.1107/S0108270191013161
0.710692
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crocock, B.; Long, C.; Howie, R. A. The synthesis and structure of the pyridine-substituted derivative of tricarbonyl(η^5^-methylcyclopentadienyl)manganese(I) Acta Crystallographica Section C 48(6) (1992) 1004-1007
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/2/00/08/2000816.cif $ #-------------------------------------------------------------------...
2,000,817
7.929
0.002
8.716
0.003
10.914
0.003
98.77
0.02
90.3
0.02
105.79
0.02
716.4
0.4
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C6 H20 N O13 V -
- C6 H20 N O13 V -
- C12 H40 N2 O26 V2 -
2
1
AS0562
Okamoto, K.; Hidaka, J.; Fukagawa, M.; Kanamori, K.
Structure of triaqua(nitrilotriacetato)vanadium(III) tetrahydrate
Acta Crystallographica Section C
1,992
48
6
1025
1027
10.1107/S010827019101377X
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Okamoto, K.; Hidaka, J.; Fukagawa, M.; Kanamori, K. Structure of triaqua(nitrilotriacetato)vanadium(III) tetrahydrate Acta Crystallographica Section C 48(6) (1992) 1025-1027
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000817.cif $ #-------------------------------------------------------------------...
2,000,818
14.332
0.003
16.592
0.003
17.42
0.003
90
null
90
null
90
null
4,142.4
1.3
null
null
null
null
null
null
null
null
6
P b c a
null
- C10 H30 Cl2 O3 P4 Pd -
- C10 H30 Cl2 O3 P4 Pd -
- C80 H240 Cl16 O24 P32 Pd8 -
8
1
CR0282
Davies, J. A.; Pinkerton, A. A.; Vilmer, M.
<i>cis</i>-Di[bis(dimethylphosphino)methane <i>P</i>-oxide-<i>P</i>']dichloropalladium(II) monohydrate
Acta Crystallographica Section C
1,992
48
6
1027
1029
10.1107/S0108270191013859
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Davies, J. A.; Pinkerton, A. A.; Vilmer, M. <i>cis</i>-Di[bis(dimethylphosphino)methane <i>P</i>-oxide-<i>P</i>']dichloropalladium(II) monohydrate Acta Crystallographica Section C 48(6) (1992) 1027-1029
189,069
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-12-12 11:03:14 +0200 (Mon, 12 Dec 2016) $ #$Revision: 189069 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000818.cif $ #-------------------------------------------------------------------...
7,205,771
28.971
0.0006
6.585
0.0001
23.0547
0.0005
90
null
102.386
0.001
90
null
4,295.87
0.15
173
2
173
2
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
(cyclododecylammonium).(adamantanecarboxylate)
- C23 H41 N O2 -
- C23 H41 N O2 -
- C184 H328 N8 O16 -
8
1
Lemmerer, Andreas
Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
CrystEngComm
2,011
13
8
2849
10.1039/c0ce00749h
0.71073
MoKα
0.0624
0.0438
null
null
0.1231
0.1569
null
null
null
null
null
0.644
null
null
has coordinates,has disorder
Lemmerer, Andreas Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 CrystEngComm 13(8) (2011) 2849
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205771.cif $ #-------------------------------------------------------------------...
2,000,819
12.082
0.001
8.965
0.001
22.888
0.002
90
null
91.25
0.01
90
null
2,478.5
0.4
null
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C8 H24 Cl3 N4 Nd O22 -
- C8 Cl3 N4 Nd O37 -
- C32 Cl12 N16 Nd4 O148 -
4
1
KA0012
Csöregh, I.; Huskowska, E.; Legendziewicz, J.
Structure of a neodymium diglycine complex, [Nd(Gly-Gly)~2~(H~2~O)~2~](ClO~4~)~3~.2H~2~O
Acta Crystallographica Section C
1,992
48
6
1030
1033
10.1107/S0108270191014257
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Csöregh, I.; Huskowska, E.; Legendziewicz, J. Structure of a neodymium diglycine complex, [Nd(Gly-Gly)~2~(H~2~O)~2~](ClO~4~)~3~.2H~2~O Acta Crystallographica Section C 48(6) (1992) 1030-1033
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/08/2000819.cif $ #-------------------------------------------------------------------...
2,000,820
16.58
0.03
8.34
0.01
24.35
0.03
90
null
91.2
0.2
90
null
3,366
8
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C20 H22 O3 -
- C20 H22 O3 -
- C160 H176 O24 -
8
2
CR0353
Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Tunnell, J. L.; Ferrara, J. D.
Structure of the crystalline dimer of α-hydroxyisobutyrophenone: (<i>R</i>,<i>S</i>)-3,3,6,6-tetramethyl-1,4-diphenyl-2,5,7-trioxabicyclo[2.2.1]heptane
Acta Crystallographica Section C
1,992
48
6
1033
1036
10.1107/S0108270191012428
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Tunnell, J. L.; Ferrara, J. D. Structure of the crystalline dimer of α-hydroxyisobutyrophenone: (<i>R</i>,<i>S</i>)-3,3,6,6-tetramethyl-1,4-diphenyl-2,5,7-trioxabicyclo[2.2.1]heptane Acta Crystallographica Section C 48(6) (1992) 1033-1036
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000820.cif $ #-------------------------------------------------------------------...
2,000,821
13.49
0.003
7.734
0.002
8.211
0.003
90
null
97.6
0.04
90
null
849.1
0.4
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C18 H22 N4 -
- C18 H22 N4 -
- C36 H44 N8 -
2
0.5
PA0236
Bocelli, G.; Cantoni, A.; Tosi, G.
Structure of butanedione bis(methylphenylhydrazone)
Acta Crystallographica Section C
1,992
48
6
1041
1043
10.1107/S010827019101257X
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bocelli, G.; Cantoni, A.; Tosi, G. Structure of butanedione bis(methylphenylhydrazone) Acta Crystallographica Section C 48(6) (1992) 1041-1043
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000821.cif $ #-------------------------------------------------------------------...
2,000,822
9.734
0.002
10.873
0.007
7.256
0.002
101.47
0.04
106.31
0.02
81.6
0.04
719
0.5
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C14 H15 Cl2 N S -
- C14 H15 Cl2 N S -
- C28 H30 Cl4 N2 S2 -
2
1
PA0247
Enjalbert, R.; Galy, J.; Géhénot, A.; Rao, R. C.; Maire, G.
Structure of ticlopidine hydrochloride - a platelet antiaggregating agent
Acta Crystallographica Section C
1,992
48
6
1043
1045
10.1107/S0108270191012593
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Enjalbert, R.; Galy, J.; Géhénot, A.; Rao, R. C.; Maire, G. Structure of ticlopidine hydrochloride - a platelet antiaggregating agent Acta Crystallographica Section C 48(6) (1992) 1043-1045
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000822.cif $ #-------------------------------------------------------------------...
7,205,770
6.4758
0.0003
11.2016
0.0006
24.5573
0.0014
90
null
93.217
0.004
90
null
1,778.56
0.16
173
2
173
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
(cyclooctylammonium).(adamantane carboxylate)
- C19 H33 N O2 -
- C19 H33 N O2 -
- C76 H132 N4 O8 -
4
1
Lemmerer, Andreas
Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
CrystEngComm
2,011
13
8
2849
10.1039/c0ce00749h
0.71073
MoKα
0.1684
0.065
null
null
0.1146
0.147
null
null
null
null
null
0.918
null
null
has coordinates
Lemmerer, Andreas Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 CrystEngComm 13(8) (2011) 2849
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205770.cif $ #-------------------------------------------------------------------...
2,000,823
7.659
0.001
12.741
0.001
15.095
0.001
90
null
90
null
90
null
1,473
0.2
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C17 H17 N3 O2 -
- C17 H17 N3 O2 -
- C68 H68 N12 O8 -
4
1
LI0105
Priya, V.; Shamala, N.; Viswamitra, M. A.; Senthil Kumar, U. P.; Jeyaraman, R.
Structure of <i>N</i>-nitroso-<i>r</i>-2,<i>c</i>-7-diphenylhexahydro-1,4-diazepin-5-one
Acta Crystallographica Section C
1,992
48
6
1048
1051
10.1107/S0108270191012982
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Priya, V.; Shamala, N.; Viswamitra, M. A.; Senthil Kumar, U. P.; Jeyaraman, R. Structure of <i>N</i>-nitroso-<i>r</i>-2,<i>c</i>-7-diphenylhexahydro-1,4-diazepin-5-one Acta Crystallographica Section C 48(6) (1992) 1048-1051
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000823.cif $ #-------------------------------------------------------------------...
2,000,824
14.232
0.001
14.232
0.001
10.169
0.004
90
null
90
null
90
null
2,059.7
0.8
null
null
null
null
null
null
null
null
4
P -4 21 c
P -4 2n
null
- C9 H11 N3 O3 -
- C9 H11 N3 O3 -
- C72 H88 N24 O24 -
8
1
AS0547
Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.
Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
Acta Crystallographica Section C
1,992
48
6
1051
1054
10.1107/S0108270191012908
1.5405
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N. Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas Acta Crystallographica Section C 48(6) (1992) 1051-1054
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000824.cif $ #-------------------------------------------------------------------...
2,000,825
13.854
0.001
9.071
0.001
11.808
0.004
90
null
92.14
0.01
90
null
1,482.9
0.5
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
- C14 H21 N3 O2 -
- C14 H21 N3 O2 -
- C56 H84 N12 O8 -
4
1
AS0547
Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.
Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
Acta Crystallographica Section C
1,992
48
6
1051
1054
10.1107/S0108270191012908
1.5405
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N. Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas Acta Crystallographica Section C 48(6) (1992) 1051-1054
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000825.cif $ #-------------------------------------------------------------------...
2,000,826
12.639
0.001
10.185
0.001
7.851
0.004
90
null
96.92
0.01
90
null
1,003.3
0.5
null
null
null
null
null
null
null
null
4
P 1 21 1
null
- C22 H21 N3 O2 -
- C22 H21 N3 O2 -
- C44 H42 N6 O4 -
2
1
AS0547
Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.
Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
Acta Crystallographica Section C
1,992
48
6
1051
1054
10.1107/S0108270191012908
1.5405
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N. Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas Acta Crystallographica Section C 48(6) (1992) 1051-1054
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000826.cif $ #-------------------------------------------------------------------...
2,000,827
7.311
0.001
5.565
0.001
88.01
0.01
90
null
90
null
90
null
3,580.7
0.9
null
null
null
null
null
null
null
null
3
P b c a
-P 2ac 2ab
null
- C18 H34 O2 -
- C18 H34 O2 -
- C144 H272 O16 -
8
1
AS0516
Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.
Structure of the low-melting phase of petroselinic acid
Acta Crystallographica Section C
1,992
48
6
1054
1057
10.1107/S0108270191012921
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M. Structure of the low-melting phase of petroselinic acid Acta Crystallographica Section C 48(6) (1992) 1054-1057
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000827.cif $ #-------------------------------------------------------------------...
7,205,769
23.4749
0.001
6.4309
0.0002
21.8759
0.001
90
null
96.802
0.002
90
null
3,279.2
0.2
173
2
173
2
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
(cycloheptylammonium).(adamantane carboxylate)
- C18 H31 N O2 -
- C18 H31 N O2 -
- C144 H248 N8 O16 -
8
1
Lemmerer, Andreas
Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
CrystEngComm
2,011
13
8
2849
10.1039/c0ce00749h
0.71073
MoKα
0.0772
0.05
null
null
0.1099
0.1218
null
null
null
null
null
0.969
null
null
has coordinates
Lemmerer, Andreas Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 CrystEngComm 13(8) (2011) 2849
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205769.cif $ #-------------------------------------------------------------------...
2,000,828
5.359
0.001
8.874
0.002
41.391
0.005
90.49
0.01
89.12
0.02
113.81
0.02
1,800.6
0.6
null
null
null
null
null
null
null
null
3
P -1
-P 1
2
- C18 H34 O2 -
- C18 H34 O2 -
- C72 H136 O8 -
4
2
AS0527
Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.
Structure of the high-melting phase of petroselinic acid
Acta Crystallographica Section C
1,992
48
6
1057
1060
10.1107/S0108270191013173
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M. Structure of the high-melting phase of petroselinic acid Acta Crystallographica Section C 48(6) (1992) 1057-1060
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000828.cif $ #-------------------------------------------------------------------...
2,000,829
5.462
0.001
5.197
0.001
44.16
0.01
91.2
0.01
90.85
0.02
117.32
0.02
1,113
0.4
null
null
null
null
null
null
null
null
3
P -1
-P 1
2
- C22 H42 O2 -
- C22 H42 O2 -
- C44 H84 O4 -
2
1
AS0523
Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.
Structure of the γ~1~ phase of erucic acid
Acta Crystallographica Section C
1,992
48
6
1060
1063
10.1107/S0108270191012994
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M. Structure of the γ~1~ phase of erucic acid Acta Crystallographica Section C 48(6) (1992) 1060-1063
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/08/2000829.cif $ #-------------------------------------------------------------------...