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
2,001,642
21.778
0.003
16.707
0.002
12.367
0.002
90
null
97.89
0.03
90
null
4,457.1
1.1
298
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C30 H22 N2 O3 -
- C30 H22 N2 O3 -
- C240 H176 N16 O24 -
8
2
NA1026
Millini, R.; Del Piero, G.; Allegrini, P.; Malatesta, V.; Castaldi, G.
Structure of photochromic spiroxazines. II. 1',3',3'-Trimethylspiro{anthra[2,1-<i>f</i>][1,4]benzoxazine-2,2'-indoline}-7,12-dione
Acta Crystallographica Section C
1,993
49
6
1205
1207
10.1107/S010827019300006X
1.54178
CuKα
null
0.049
null
null
0.043
null
null
null
null
1.67
1.67
null
null
null
has coordinates
Millini, R.; Del Piero, G.; Allegrini, P.; Malatesta, V.; Castaldi, G. Structure of photochromic spiroxazines. II. 1',3',3'-Trimethylspiro{anthra[2,1-<i>f</i>][1,4]benzoxazine-2,2'-indoline}-7,12-dione Acta Crystallographica Section C 49(6) (1993) 1205-1207
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001642.cif $ #-------------------------------------------------------------------...
2,001,643
9.045
0.003
9.67
0.003
14.807
0.004
90
null
90
null
90
null
1,295.1
0.7
153
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C15 H18 O4 -
- C15 H18 O4 -
- C60 H72 O16 -
4
1
VS1002
Huipe-Nava, E.; Igonin, V. A.; Lindeman, S. V.; Struchkov, Yu. T.; Mendoza, V.; Garcia G., E.; Guzman, J. A.
β-Homopipitzolone
Acta Crystallographica Section C
1,993
49
6
1207
1209
10.1107/S0108270192013374
0.71073
MoKα
null
0.033
null
null
0.032
null
null
null
null
0.52
0.52
null
null
null
has coordinates
Huipe-Nava, E.; Igonin, V. A.; Lindeman, S. V.; Struchkov, Yu. T.; Mendoza, V.; Garcia G., E.; Guzman, J. A. β-Homopipitzolone Acta Crystallographica Section C 49(6) (1993) 1207-1209
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001643.cif $ #-------------------------------------------------------------------...
2,001,644
7.333
0.001
8.339
0.001
15.616
0.004
95.68
0.01
103.2
0.02
107.62
0.02
871.4
0.3
289
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C16 H12 F3 N3 O6 -
- C16 H12 F3 N3 O6 -
- C32 H24 F6 N6 O12 -
2
1
LI1038
Brown, D. M.; Lin, P. K. T.; Van Meervelt, L.
Structure of 4-nitrobenzyl <i>N</i>-(4-nitrobenzyloxy)trifluoroacetimidate
Acta Crystallographica Section C
1,993
49
6
1209
1211
10.1107/S0108270192013271
1.54184
CuKα
null
0.0709
null
null
0.0637
null
null
null
null
1.02
1.02
null
null
null
has coordinates
Brown, D. M.; Lin, P. K. T.; Van Meervelt, L. Structure of 4-nitrobenzyl <i>N</i>-(4-nitrobenzyloxy)trifluoroacetimidate Acta Crystallographica Section C 49(6) (1993) 1209-1211
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001644.cif $ #-------------------------------------------------------------------...
4,063,481
23.555
0.015
7.215
0.005
19.145
0.013
90
null
119.881
0.011
90
null
2,821
3
150
2
150
2
null
null
null
null
2
C 1 2/c 1
-C 2yc
15
- C20 H14 -
- C20 H14 -
- C160 H112 -
8
1
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man
Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes
Organometallics
2,010
29
2
463
472
10.1021/om9009203
x-ray
0.71073
MoKα
0.0747
0.0506
null
null
0.1579
0.1766
null
null
null
null
null
1.021
null
null
has coordinates,has disorder
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes Organometallics 29(2) (2010) 463-472
301,829
2025-08-20
12:17:35
#------------------------------------------------------------------------------ #$Date: 2025-08-20 15:05:43 +0300 (Wed, 20 Aug 2025) $ #$Revision: 301829 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/06/34/4063481.cif $ #-------------------------------------------------------------------...
2,001,645
14.597
0.005
13.153
0.005
6.584
0.003
90
null
90
null
90
null
1,264.1
0.9
298
null
null
null
null
null
null
null
4
I b a m
-I 2 2c
null
- C5 H4 N4 S -
- C5 H4 N4 S -
- C40 H32 N32 S8 -
8
0.5
CR1037
Singh, P.; Pedersen, L. G.
Orthorhombic form of thiopurinol: 1,5-dihydro-4<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4-thione
Acta Crystallographica Section C
1,993
49
6
1211
1215
10.1107/S0108270192013453
0.71073
MoKα
null
0.043
null
null
0.06
null
null
null
null
1.4
1.4
null
null
null
has coordinates
Singh, P.; Pedersen, L. G. Orthorhombic form of thiopurinol: 1,5-dihydro-4<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4-thione Acta Crystallographica Section C 49(6) (1993) 1211-1215
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001645.cif $ #-------------------------------------------------------------------...
2,001,646
12.137
0.002
12.181
0.002
11.694
0.002
100.39
0.01
100.1
0.01
78.02
0.01
1,646.3
0.5
298
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C6 Cl3 N3 O6 -
- C6 Cl3 N3 O6 -
- C36 Cl18 N18 O36 -
6
3
DU1015
Gerard, F.; Hardy, A.; Becuwe, A.
Structure of 1,3,5-trichloro-2,4,6-trinitrobenzene
Acta Crystallographica Section C
1,993
49
6
1215
1218
10.1107/S0108270193000034
0.7093
MoKα
null
0.029
null
null
0.034
null
null
null
null
1.33
1.33
null
null
null
has coordinates
Gerard, F.; Hardy, A.; Becuwe, A. Structure of 1,3,5-trichloro-2,4,6-trinitrobenzene Acta Crystallographica Section C 49(6) (1993) 1215-1218
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/2/00/16/2001646.cif $ #-------------------------------------------------------------------...
2,001,647
10.897
0.001
6.941
0.001
6.345
0.001
64.28
0.01
74.32
0.01
74.81
0.01
410.44
0.1
293
null
293
null
null
null
null
null
3
P -1
-P 1
2
cis-4-Cyclohexene-1,2-dicarboxylic Acid
- C8 H10 O4 -
- C8 H10 O4 -
- C16 H20 O8 -
2
1
SH1025
Küppers, H.; Kim, S. A.
Structure of <i>cis</i>-4-cyclohexene-1,2-dicarboxylic acid
Acta Crystallographica Section C
1,993
49
6
1218
1220
10.1107/S0108270193000095
0.7107
MolybdenumKα
null
0.066
null
null
0.049
null
null
null
null
null
null
null
null
null
has coordinates
Küppers, H.; Kim, S. A. Structure of <i>cis</i>-4-cyclohexene-1,2-dicarboxylic acid Acta Crystallographica Section C 49(6) (1993) 1218-1220
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001647.cif $ #-------------------------------------------------------------------...
2,001,648
21.953
0.005
8.961
0.003
13.588
0.003
90
null
96.07
0.03
90
null
2,658.1
1.2
295
0.5
295
0.5
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
1,10-Dimethyl-4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane diiodide
- C20 H42 I2 N2 O6 -
- C20 H42 I2 N2 O6 -
- C80 H168 I8 N8 O24 -
4
0.5
SH1028
Korber, N.; Jansen, M.
<i>N</i>,<i>N</i>'-Dimethylcryptand[2.2.2] diiodide
Acta Crystallographica Section C
1,993
49
6
1220
1222
10.1107/S0108270192012824
0.71069
MoKα
0.032
0.0298
null
0.0789
0.0772
null
null
null
1.144
1.165
1.165
null
null
null
has coordinates
Korber, N.; Jansen, M. <i>N</i>,<i>N</i>'-Dimethylcryptand[2.2.2] diiodide Acta Crystallographica Section C 49(6) (1993) 1220-1222
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001648.cif $ #-------------------------------------------------------------------...
2,001,649
7.578
0.002
8.735
0.002
9.371
0.002
90
null
90
null
90
null
620.3
0.3
296
1
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C4 H5 Br O4 -
- C4 H5 Br O4 -
- C16 H20 Br4 O16 -
4
1
BR1027
Britten, J. F.; Howard-Lock, H. E.; Leblanc, D.; Lock, C. J. L.
(<i>R</i>)-2-Bromo-1,4-butanedioic acid
Acta Crystallographica Section C
1,993
49
6
1222
1224
10.1107/S0108270192013210
1.54178
CuKα
null
0.0424
null
null
0.0419
null
null
null
null
1.97
1.97
null
null
null
has coordinates
Britten, J. F.; Howard-Lock, H. E.; Leblanc, D.; Lock, C. J. L. (<i>R</i>)-2-Bromo-1,4-butanedioic acid Acta Crystallographica Section C 49(6) (1993) 1222-1224
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001649.cif $ #-------------------------------------------------------------------...
2,001,650
10.808
0.002
10.808
0.002
10.883
0.001
90
null
90
null
120
0.1
1,101
1.2
295
null
null
null
null
null
null
null
3
P 31
P 31
null
- C20 H14 O2 -
- C20 H14 O2 -
- C60 H42 O6 -
3
1
OH1012
Mori, K.; Masuda, Y.; Kashino, S.
(+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl
Acta Crystallographica Section C
1,993
49
6
1224
1227
10.1107/S0108270193000083
1.54178
CuKα
null
0.03
null
null
0.039
null
null
null
null
1.357
1.357
null
null
null
has coordinates
Mori, K.; Masuda, Y.; Kashino, S. (+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl Acta Crystallographica Section C 49(6) (1993) 1224-1227
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001650.cif $ #-------------------------------------------------------------------...
2,001,651
15.696
0.002
21.617
0.002
8.6253
0.0006
90
null
90
null
90
null
2,926.6
0.5
295
null
null
null
null
null
null
null
3
I b a 2
I 2 -2c
null
- C20 H14 O2 -
- C20 H14 O2 -
- C160 H112 O16 -
8
1
OH1012
Mori, K.; Masuda, Y.; Kashino, S.
(+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl
Acta Crystallographica Section C
1,993
49
6
1224
1227
10.1107/S0108270193000083
1.54178
CuKα
null
0.034
null
null
0.039
null
null
null
null
1.214
1.214
null
null
null
has coordinates
Mori, K.; Masuda, Y.; Kashino, S. (+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl Acta Crystallographica Section C 49(6) (1993) 1224-1227
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001651.cif $ #-------------------------------------------------------------------...
2,001,652
19.979
0.002
24.115
0.003
8.998
0.0014
90
null
90
null
90
null
4,335.2
1
296
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C39 H73 N O14 -
- C39 H73 N O14 -
- C156 H292 N4 O56 -
4
1
OH1013
Iwasaki, H.; Sugawara, Y.; Adachi, T.; Morimoto, S.; Watanabe, Y.
Structure of 6-<i>O</i>-methylerythromycin A (clarithromycin)
Acta Crystallographica Section C
1,993
49
6
1227
1230
10.1107/S0108270193000186
0.71073
MoKα
null
0.045
null
null
0.053
null
null
null
null
0.7823
0.7823
null
null
null
has coordinates
Iwasaki, H.; Sugawara, Y.; Adachi, T.; Morimoto, S.; Watanabe, Y. Structure of 6-<i>O</i>-methylerythromycin A (clarithromycin) Acta Crystallographica Section C 49(6) (1993) 1227-1230
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001652.cif $ #-------------------------------------------------------------------...
4,063,480
7.5602
0.0009
33.767
0.004
12.2325
0.0015
90
null
95.88
0.003
90
null
3,106.3
0.6
150
2
150
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C34 H32 Cl2 N4 Pd -
- C34 H32 Cl2 N4 Pd -
- C136 H128 Cl8 N16 Pd4 -
4
1
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man
Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes
Organometallics
2,010
29
2
463
472
10.1021/om9009203
x-ray
0.71073
MoKα
0.086
0.0627
null
null
0.1724
0.1876
null
null
null
null
null
1.208
null
null
has coordinates
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes Organometallics 29(2) (2010) 463-472
178,529
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-21 06:41:29 +0200 (Mon, 21 Mar 2016) $ #$Revision: 178529 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/06/34/4063480.cif $ #-------------------------------------------------------------------...
2,001,653
8.311
0.003
10.552
0.003
7.508
0.005
97.45
0.04
115.59
0.03
104.36
0.02
553.8
0.5
293
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C14 H11 N O3 -
- C14 H11 N O3 -
- C28 H22 N2 O6 -
2
1
AL1004
Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
Structure of a pyrano[2,3-<i>b</i>]indolizine
Acta Crystallographica Section C
1,993
49
6
1230
1232
10.1107/S0108270192012769
0.71069
MoKα
null
0.044
null
null
0.055
null
null
null
null
1.84
1.84
null
null
null
has coordinates
Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N. Structure of a pyrano[2,3-<i>b</i>]indolizine Acta Crystallographica Section C 49(6) (1993) 1230-1232
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001653.cif $ #-------------------------------------------------------------------...
2,001,654
9.492
0.002
4.674
0.006
49.39
0.01
90
null
93.65
0.02
90
null
2,187
3
221
null
null
null
null
null
null
null
3
P 1 21/a 1
-P 2yab
null
- C22 H42 O2 -
- C22 H42 O2 -
- C88 H168 O8 -
4
1
OH1011
Kaneko, F.; Yamazaki, K.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.
Structure of the γ phase of erucic acid
Acta Crystallographica Section C
1,993
49
6
1232
1234
10.1107/S0108270193000071
1.5418
CuKα
null
0.051
null
null
0.067
null
null
null
null
1.52
1.52
null
null
null
has coordinates
Kaneko, F.; Yamazaki, K.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M. Structure of the γ phase of erucic acid Acta Crystallographica Section C 49(6) (1993) 1232-1234
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001654.cif $ #-------------------------------------------------------------------...
2,001,655
9.145
0.001
16.756
0.002
18.201
0.002
90
null
90
null
90
null
2,789
0.5
293
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C30 H36 O7 -
- C30 H36 O7 -
- C120 H144 O28 -
4
1
ST1038
Abboud, K. A.; Jiang, S.; Enholm, E. J.
Structure of a coupled carbohydrate and terpene
Acta Crystallographica Section C
1,993
49
6
1234
1237
10.1107/S0108270193000113
0.71073
MoKα
null
0.0527
null
null
0.0503
null
null
null
null
1.6
1.6
null
null
null
has coordinates
Abboud, K. A.; Jiang, S.; Enholm, E. J. Structure of a coupled carbohydrate and terpene Acta Crystallographica Section C 49(6) (1993) 1234-1237
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001655.cif $ #-------------------------------------------------------------------...
2,001,656
6.4176
0.0009
12.296
0.002
12.215
0.002
90
null
114.3
0.01
90
null
878.5
0.2
293
null
293
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Hydrogenophosphate of piperazinium monohydrated
Hydrogenophosphate of piperazinium monohydrated
- C4 H15 N2 O5 P -
- C4 H14 N2 O5 P -
- C16 H56 N8 O20 P4 -
4
1
DU1011
Riou, D.; Loiseau, T.; Ferey, G.
Structure determination of a monohydrated piperazinium hydrogenphosphate
Acta Crystallographica Section C
1,993
49
6
1237
1238
10.1107/S0108270193000496
0.71069
MoKα
null
0.039
null
null
0.034
null
null
null
null
null
null
null
null
null
has coordinates
Riou, D.; Loiseau, T.; Ferey, G. Structure determination of a monohydrated piperazinium hydrogenphosphate Acta Crystallographica Section C 49(6) (1993) 1237-1238
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/2/00/16/2001656.cif $ #-------------------------------------------------------------------...
2,001,657
5.95
0.002
8.238
0.001
9.952
0.002
90
null
102.82
0.02
90
null
475.6
0.2
296
null
296
null
null
null
null
null
4
P 1 21 1
null
(4S,5S)-4-Methyl-5-phenyl-2-oxazolidinone
- C10 H11 N O2 -
- C10 H11 N O2 -
- C20 H22 N2 O4 -
2
1
CR1047
Robinson, P. D.; Hua, D. H.; Good, L. A.; Wang, H.; Meyers, C. Y.
(4<i>S</i>,5<i>S</i>)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one
Acta Crystallographica Section C
1,993
49
6
1238
1240
10.1107/S0108270192013477
0.71069
MoKα
null
0.029
null
null
0.036
null
null
null
null
1.51
1.51
null
null
null
has coordinates
Robinson, P. D.; Hua, D. H.; Good, L. A.; Wang, H.; Meyers, C. Y. (4<i>S</i>,5<i>S</i>)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one Acta Crystallographica Section C 49(6) (1993) 1238-1240
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001657.cif $ #-------------------------------------------------------------------...
2,001,658
19.14
0.03
7.635
0.003
19.838
0.001
90
null
99.84
0.04
90
null
2,856
5
293
null
null
null
null
null
null
null
3
I 1 2 1
I 2y
null
- C29 H52 O7 -
- C29 H52 O6.5 -
- C116 H208 O26 -
4
1
HA1010
Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Balakrishna, K.
Structure of vicogenin
Acta Crystallographica Section C
1,993
49
6
1240
1242
10.1107/S0108270192013556
1.5418
CuKα
null
0.056
null
null
0.06
null
null
null
null
2.3
2.3
null
null
null
has coordinates
Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Balakrishna, K. Structure of vicogenin Acta Crystallographica Section C 49(6) (1993) 1240-1242
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/2/00/16/2001658.cif $ #-------------------------------------------------------------------...
4,063,479
15.823
0.005
14.132
0.005
15.342
0.005
90
null
114.275
0.017
90
null
3,127.3
1.8
150
2
150
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C34 H32 Cl2 N4 Pd -
- C34 H32 Cl2 N4 Pd -
- C136 H128 Cl8 N16 Pd4 -
4
0.5
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man
Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes
Organometallics
2,010
29
2
463
472
10.1021/om9009203
x-ray
0.71073
MoKα
0.0792
0.0373
null
null
0.0882
0.1145
null
null
null
null
null
0.977
null
null
has coordinates
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes Organometallics 29(2) (2010) 463-472
178,529
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-21 06:41:29 +0200 (Mon, 21 Mar 2016) $ #$Revision: 178529 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/06/34/4063479.cif $ #-------------------------------------------------------------------...
2,001,659
6.608
0.001
6.899
0.001
12.977
0.002
82.66
0.01
80.64
0.01
73.97
0.01
558.88
0.15
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- Eu2 H8 O11.5 P3 -
- Eu2 H3 O12 P3 -
- Eu4 H6 O24 P6 -
2
1
DU1019
Foulon, J.-D.; Tijani, N.; Durand, J.; Rafiq, M.; Cot, L.
Structure de Eu~2~(PO~3~H)~3~.2,5H~2~O
Acta Crystallographica Section C
1,993
49
5
849
851
10.1107/S0108270192012587
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Foulon, J.-D.; Tijani, N.; Durand, J.; Rafiq, M.; Cot, L. Structure de Eu~2~(PO~3~H)~3~.2,5H~2~O Acta Crystallographica Section C 49(5) (1993) 849-851
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/2/00/16/2001659.cif $ #-------------------------------------------------------------------...
2,001,660
9.73439
0.00009
9.73439
0.00009
11.892
0.0002
90
null
90
null
120
null
975.89
0.02
null
null
null
null
null
null
null
null
3
R -3 c
-R 3 2"c
null
- Ir O6 Sr4 -
- Ir O6 Sr4 -
- Ir6 O36 Sr24 -
6
null
HU1016
Powell, A. V.; Battle, P. D.; Gore, J. G.
Structure of Sr~4~IrO~6~ by time-of-flight neutron powder diffraction
Acta Crystallographica Section C
1,993
49
5
852
854
10.1107/S0108270192012721
neutron
null
Neutron
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Powell, A. V.; Battle, P. D.; Gore, J. G. Structure of Sr~4~IrO~6~ by time-of-flight neutron powder diffraction Acta Crystallographica Section C 49(5) (1993) 852-854
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001660.cif $ #-------------------------------------------------------------------...
2,001,661
11.45
0.002
8.409
0.002
9.847
0.001
90
null
95.28
0.01
90
null
944.1
0.3
null
null
null
null
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
- Cu2 O19 Rb2 Si8 -
- Cu2 O19 Rb2 Si8 -
- Cu4 O38 Rb4 Si16 -
2
0.5
OH1000
Watanabe, I.; Kawahara, A.
Structure of a synthetic double-layer silicate, Rb~2~Cu~2~Si~8~O~19~
Acta Crystallographica Section C
1,993
49
5
854
856
10.1107/S0108270192011892
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Watanabe, I.; Kawahara, A. Structure of a synthetic double-layer silicate, Rb~2~Cu~2~Si~8~O~19~ Acta Crystallographica Section C 49(5) (1993) 854-856
205,956
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-31 13:05:05 +0200 (Wed, 31 Jan 2018) $ #$Revision: 205956 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001661.cif $ #-------------------------------------------------------------------...
2,001,662
13.126
0.002
16.274
0.007
11.756
0.004
96.77
0.02
90.04
0.02
77.77
0.02
2,436.4
1.4
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- H17 K10 O50 W12 -
- H2 K10 O52 W12 -
- H4 K20 O104 W24 -
2
1
GR0197
Evans, Jnr, H. T.; Kortz, U.; Jameson, G. B.
Structure of potassium paradodecatungstate 71/2-hydrate
Acta Crystallographica Section C
1,993
49
5
856
861
10.1107/S0108270192012010
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Evans, Jnr, H. T.; Kortz, U.; Jameson, G. B. Structure of potassium paradodecatungstate 71/2-hydrate Acta Crystallographica Section C 49(5) (1993) 856-861
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/2/00/16/2001662.cif $ #-------------------------------------------------------------------...
2,001,663
8.686
0.001
12.483
0.002
12.933
0.002
73.09
0.01
73.65
0.01
70.87
0.01
1,240.4
0.3
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C28 H42 Cl14 N10 Ni5 -
- C28 H46 Cl14 N10 Ni5 -
- C28 H46 Cl14 N10 Ni5 -
1
0.5
ST0571
Bond, M. R.; Willett, R. D.
Structures of tetrakis(2-amino-6-methylpyridinium) <i>catena</i>-bis(acetonitrile)tetradeca-μ-chloro-pentanickelate(II) and bis(3-picolinium) <i>catena</i>-diaquaocta-μ-chloro-trinickelate(II)
Acta Crystallographica Section C
1,993
49
5
861
865
10.1107/S0108270192009600
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bond, M. R.; Willett, R. D. Structures of tetrakis(2-amino-6-methylpyridinium) <i>catena</i>-bis(acetonitrile)tetradeca-μ-chloro-pentanickelate(II) and bis(3-picolinium) <i>catena</i>-diaquaocta-μ-chloro-trinickelate(II) Acta Crystallographica Section C 49(5) (1993) 861-865
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/2/00/16/2001663.cif $ #-------------------------------------------------------------------...
2,001,664
7.648
0.001
8.498
0.001
9.55
0.001
85.15
0.01
83.71
0.01
69.08
0.01
575.58
0.12
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C12 H20 Cl8 N2 Ni3 O2 -
- C12 H20 Cl8 N2 Ni3 O2 -
- C12 H20 Cl8 N2 Ni3 O2 -
1
0.5
ST0571
Bond, M. R.; Willett, R. D.
Structures of tetrakis(2-amino-6-methylpyridinium) <i>catena</i>-bis(acetonitrile)tetradeca-μ-chloro-pentanickelate(II) and bis(3-picolinium) <i>catena</i>-diaquaocta-μ-chloro-trinickelate(II)
Acta Crystallographica Section C
1,993
49
5
861
865
10.1107/S0108270192009600
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bond, M. R.; Willett, R. D. Structures of tetrakis(2-amino-6-methylpyridinium) <i>catena</i>-bis(acetonitrile)tetradeca-μ-chloro-pentanickelate(II) and bis(3-picolinium) <i>catena</i>-diaquaocta-μ-chloro-trinickelate(II) Acta Crystallographica Section C 49(5) (1993) 861-865
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/2/00/16/2001664.cif $ #-------------------------------------------------------------------...
4,063,478
9.0547
0.0007
25.3595
0.0018
9.7807
0.0007
90
null
111.778
0.001
90
null
2,085.6
0.3
150
2
150
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C22 H21 Cl2 N3 Pd -
- C22 H21 Cl2 N3 Pd -
- C88 H84 Cl8 N12 Pd4 -
4
1
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man
Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes
Organometallics
2,010
29
2
463
472
10.1021/om9009203
x-ray
0.71073
MoKα
0.0292
0.0219
null
null
0.0544
0.0572
null
null
null
null
null
1.125
null
null
has coordinates
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes Organometallics 29(2) (2010) 463-472
178,529
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-21 06:41:29 +0200 (Mon, 21 Mar 2016) $ #$Revision: 178529 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/06/34/4063478.cif $ #-------------------------------------------------------------------...
2,001,665
8.294
0.001
10.981
0.003
11.934
0.003
90
null
107.04
0.02
90
null
1,039.2
0.4
null
null
null
null
null
null
null
null
6
P 1 21 1
P 2yb
4
- C10 H28 Cl3 Er N2 O9 -
- C10 H18 Cl3 Er N2 O9 -
- C20 H36 Cl6 Er2 N4 O18 -
2
1
MU1025
Ma, A.-Z.; Li, L.-M.; Lin, Y.-H.; Xi, S.-Q.
Structure of an erbium coordination compound with <small>L</small>-proline, {[Er(Pro)~2~(H~2~O)~5~]Cl~3~}~<i>n~</i>
Acta Crystallographica Section C
1,993
49
5
865
867
10.1107/S0108270192012113
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ma, A.-Z.; Li, L.-M.; Lin, Y.-H.; Xi, S.-Q. Structure of an erbium coordination compound with <small>L</small>-proline, {[Er(Pro)~2~(H~2~O)~5~]Cl~3~}~<i>n~</i> Acta Crystallographica Section C 49(5) (1993) 865-867
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001665.cif $ #-------------------------------------------------------------------...
2,001,666
7.597
0.005
12.951
0.003
13.131
0.005
90
null
90
null
90
null
1,291.9
1
null
null
null
null
null
null
null
null
6
P n a m
-P 2c -2n
null
- C6 H10 K2 N O11 V -
- C6 H10 K2 N O11 V -
- C24 H40 K8 N4 O44 V4 -
4
0.5
AB1026
Lapshin, A. E.; Smolin, Y. I.; Shepelev, Y. F.; Sivák, M.; Gyepesová, D.
Structure of dipotassium (nitrilo-κ<i>N</i>-triacetato-κ^3^<i></i><i>O</i>,<i>O</i>'',<i>O</i>'''')oxoperoxovanadate(V)‒water (1/2)
Acta Crystallographica Section C
1,993
49
5
867
870
10.1107/S0108270192011843
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lapshin, A. E.; Smolin, Y. I.; Shepelev, Y. F.; Sivák, M.; Gyepesová, D. Structure of dipotassium (nitrilo-κ<i>N</i>-triacetato-κ^3^<i></i><i>O</i>,<i>O</i>'',<i>O</i>'''')oxoperoxovanadate(V)‒water (1/2) Acta Crystallographica Section C 49(5) (1993) 867-870
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/2/00/16/2001666.cif $ #-------------------------------------------------------------------...
2,001,667
13.46
0.005
9.632
0.003
24.667
0.002
90
null
107.79
0.06
90
null
3,045.1
1.8
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C38 H28 N6 O4 Zn -
- C38 H28 N6 O4 Zn -
- C152 H112 N24 O16 Zn4 -
4
1
MU0262
Sur, H.; Roychowdhuri, S.; Seth, S.
Structure of bis{2'-[α-(2-pyridyl)benzylidene]salicylohydrazido}zinc(II)
Acta Crystallographica Section C
1,993
49
5
870
873
10.1107/S0108270192012319
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sur, H.; Roychowdhuri, S.; Seth, S. Structure of bis{2'-[α-(2-pyridyl)benzylidene]salicylohydrazido}zinc(II) Acta Crystallographica Section C 49(5) (1993) 870-873
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/2/00/16/2001667.cif $ #-------------------------------------------------------------------...
2,001,668
17.152
0.014
7.146
0.005
21
0.03
90
null
93
0.09
90
null
2,570
5
null
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
null
- C18 H34 N2 O2 S4 Sn -
- C18 H34 N2 O2 S4 Sn -
- C72 H136 N8 O8 S16 Sn4 -
4
0.5
DU1017
Vrábel, V.; Kellö, E.
Structure of di(<i>n</i>-butyl)bis(morpholinocarbodithioato-κ^2^<i>S,S'</i>)tin(IV)
Acta Crystallographica Section C
1,993
49
5
873
875
10.1107/S0108270192013040
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Vrábel, V.; Kellö, E. Structure of di(<i>n</i>-butyl)bis(morpholinocarbodithioato-κ^2^<i>S,S'</i>)tin(IV) Acta Crystallographica Section C 49(5) (1993) 873-875
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/2/00/16/2001668.cif $ #-------------------------------------------------------------------...
2,001,669
8.999
0.001
23.055
0.001
9.382
0.001
90
null
108.58
0.01
90
null
1,845
0.3
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C13 H26 N4 O9 Pb -
- C13 H26 N4 O9 Pb -
- C52 H104 N16 O36 Pb4 -
4
1
CR1028
Inoue, M. B.; Fernando, Q.; Villegas, C. A.; Inoue, M.
Structure of a lead(II) complex of a new 13-membered macrocycle with two pendant carboxymethyl groups
Acta Crystallographica, Section C: Crystal Structure Communications
1,993
49
5
875
878
10.1107/s0108270192013593
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Inoue, M. B.; Fernando, Q.; Villegas, C. A.; Inoue, M. Structure of a lead(II) complex of a new 13-membered macrocycle with two pendant carboxymethyl groups Acta Crystallographica, Section C: Crystal Structure Communications 49(5) (1993) 875-878
180,654
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-31 10:31:06 +0300 (Thu, 31 Mar 2016) $ #$Revision: 180654 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001669.cif $ #-------------------------------------------------------------------...
4,063,477
19.941
0.012
10.116
0.006
22.057
0.013
90
null
93.222
0.011
90
null
4,442
5
150
2
150
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C22 H23 Cl2 N3 Pd -
- C22 H23 Cl2 N3 Pd -
- C176 H184 Cl16 N24 Pd8 -
8
2
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man
Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes
Organometallics
2,010
29
2
463
472
10.1021/om9009203
x-ray
0.71073
MoKα
0.0892
0.0454
null
null
0.1122
0.1348
null
null
null
null
null
1.003
null
null
has coordinates
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes Organometallics 29(2) (2010) 463-472
178,529
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-21 06:41:29 +0200 (Mon, 21 Mar 2016) $ #$Revision: 178529 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/06/34/4063477.cif $ #-------------------------------------------------------------------...
2,001,670
12.217
0.002
16.848
0.006
18.834
0.003
90
null
100.37
0.02
90
null
3,813.3
1.6
null
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C39 H63 B F15 O2 Ta -
- C39 H35 B F15 O2 Ta -
- C156 H140 B4 F60 O8 Ta4 -
4
1
HH0591
Schaefer, W. P.; Quan, R. W.; Bercaw, J. E.
Structure of hydroxo(methyl)bis(η^5^-pentamethylcyclopentadienyl)tantalum(V) hydroxotris(pentafluorophenyl)borate
Acta Crystallographica Section C
1,993
49
5
878
881
10.1107/S0108270192003998
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates,has disorder
Schaefer, W. P.; Quan, R. W.; Bercaw, J. E. Structure of hydroxo(methyl)bis(η^5^-pentamethylcyclopentadienyl)tantalum(V) hydroxotris(pentafluorophenyl)borate Acta Crystallographica Section C 49(5) (1993) 878-881
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001670.cif $ #-------------------------------------------------------------------...
2,001,671
7.473
0.001
7.779
0.002
9.787
0.002
109.46
0.03
98.56
0.03
98.29
0.03
518.9
0.2
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C12 H20 N8 O8 P2 Pt -
- C12 H12 N8 O10 P2 Pt -
- C12 H12 N8 O10 P2 Pt -
1
0.5
BR1016
Britten, J. F.; Lock, C. J. L.; Wang, Z.
Bis[di(imidazol-2-yl)phosphinato-<i>N</i>^3^,<i>N</i>^3'^]platinum(II) tetrahydrate
Acta Crystallographica Section C
1,993
49
5
881
884
10.1107/S0108270192013258
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Britten, J. F.; Lock, C. J. L.; Wang, Z. Bis[di(imidazol-2-yl)phosphinato-<i>N</i>^3^,<i>N</i>^3'^]platinum(II) tetrahydrate Acta Crystallographica Section C 49(5) (1993) 881-884
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/2/00/16/2001671.cif $ #-------------------------------------------------------------------...
2,001,672
12.079
0.002
12.671
0.003
18.01
0.02
101.46
0.05
96.45
0.06
113.6
0.03
2,418
3
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C38 H46 Br4 N2 O13 Pb -
- C38 H46 Br4 N2 O13 Pb -
- C76 H92 Br8 N4 O26 Pb2 -
2
1
HU0410
García-Granda, S.; Díaz, M. R.; Gómez-Beltrán, F.; Blanco-Gomís, D.
Structure of (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)lead(II) eosin dihydrate
Acta Crystallographica Section C
1,993
49
5
884
886
10.1107/S010827019200979X
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
García-Granda, S.; Díaz, M. R.; Gómez-Beltrán, F.; Blanco-Gomís, D. Structure of (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)lead(II) eosin dihydrate Acta Crystallographica Section C 49(5) (1993) 884-886
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/2/00/16/2001672.cif $ #-------------------------------------------------------------------...
2,001,673
11.749
0.003
8.3
0.002
14.725
0.002
90
null
103.97
0.02
90
null
1,393.5
0.5
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C8 H19 Cl O5 Sn -
- C8 H Cl O5 Sn -
- C32 H4 Cl4 O20 Sn4 -
4
1
BR1020
Lambert, J. B.; Kuhlmann, B.; Stern, C. L.
Structure of the dimer of dibutylhydroxystannyl perchlorate
Acta Crystallographica Section C
1,993
49
5
887
890
10.1107/S0108270192011648
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lambert, J. B.; Kuhlmann, B.; Stern, C. L. Structure of the dimer of dibutylhydroxystannyl perchlorate Acta Crystallographica Section C 49(5) (1993) 887-890
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/2/00/16/2001673.cif $ #-------------------------------------------------------------------...
2,001,674
11.864
0.003
7.726
0.002
14.832
0.003
90
null
102.17
0.02
90
null
1,329
0.6
null
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C27 H26 Cu N4 O6 -
- C27 H26 Cu N4 O6 -
- C54 H52 Cu2 N8 O12 -
2
1
MU0252
Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.
Mixed chelate complexes. II. Structures of <small>L</small>-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II) nitrite monohydrate and aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II) monohydrate
Acta Crystallographica Section C
1,993
49
5
890
893
10.1107/S0108270192000556
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R. Mixed chelate complexes. II. Structures of <small>L</small>-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II) nitrite monohydrate and aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II) monohydrate Acta Crystallographi...
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001674.cif $ #-------------------------------------------------------------------...
4,063,476
16.8134
0.0004
16.3899
0.0004
27.0373
0.0007
90
null
103.143
0.002
90
null
7,255.5
0.3
100
2
100
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C74 H106 Cl4 N4 O P2 Pd2 -
- C74 H106 Cl4 N4 O P2 Pd2 -
- C296 H424 Cl16 N16 O4 P8 Pd8 -
4
1
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man
Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes
Organometallics
2,010
29
2
463
472
10.1021/om9009203
0.71073
MoKα
0.1192
0.0591
null
null
0.1477
0.1566
null
null
null
null
null
1.111
null
null
has coordinates,has disorder
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes Organometallics 29(2) (2010) 463-472
178,529
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-21 06:41:29 +0200 (Mon, 21 Mar 2016) $ #$Revision: 178529 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/06/34/4063476.cif $ #-------------------------------------------------------------------...
2,001,675
14.138
0.003
10.016
0.002
7.565
0.002
104.83
0.02
83.47
0.02
119.93
0.02
897.3
0.4
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C16 H20 Cu N4 O7 -
- C16 H20 Cu N4 O7 -
- C32 H40 Cu2 N8 O14 -
2
1
MU0252
Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.
Mixed chelate complexes. II. Structures of <small>L</small>-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II) nitrite monohydrate and aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II) monohydrate
Acta Crystallographica Section C
1,993
49
5
890
893
10.1107/S0108270192000556
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R. Mixed chelate complexes. II. Structures of <small>L</small>-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II) nitrite monohydrate and aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II) monohydrate Acta Crystallographi...
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/2/00/16/2001675.cif $ #-------------------------------------------------------------------...
2,001,676
12.2783
0.0008
21.5387
0.0006
41.9626
0.0002
90
null
90
null
90
null
11,097.4
0.8
null
null
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
null
- C58 H58 Cl4 P4 W2 -
- C58 H52 Cl4 P4 W2 -
- C464 H416 Cl32 P32 W16 -
8
1
HH1033
Cotton, F. A.; Eglin, J. L.; James, C. A.
Structural characterization of W^4^—WCl~4~(PMePh~2~)~4~
Acta Crystallographica Section C
1,993
49
5
893
896
10.1107/S0108270193000666
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Cotton, F. A.; Eglin, J. L.; James, C. A. Structural characterization of W^4^—WCl~4~(PMePh~2~)~4~ Acta Crystallographica Section C 49(5) (1993) 893-896
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/2/00/16/2001676.cif $ #-------------------------------------------------------------------...
2,001,677
12.032
0.004
10.724
0.004
9.502
0.003
90
null
90
null
90
null
1,226.1
0.7
null
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
null
- C11 H14 Cl N O3 -
- C11 H14 Cl N O3 -
- C44 H56 Cl4 N4 O12 -
4
1
MU1001
Hajjem, B.; Kallel, A.; Svoboda, I.; Baccar, B.
Structure of <i>N</i>-[(4-chlorophenyl)di(methoxy)methyl]acetamide
Acta Crystallographica Section C
1,993
49
5
898
900
10.1107/S0108270192012046
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.; Baccar, B. Structure of <i>N</i>-[(4-chlorophenyl)di(methoxy)methyl]acetamide Acta Crystallographica Section C 49(5) (1993) 898-900
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001677.cif $ #-------------------------------------------------------------------...
2,001,678
8.959
0.001
14.137
0.001
13.934
0.001
90
null
90
null
90
null
1,764.8
0.3
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C21 H28 N2 -
- C21 H28 N2 -
- C84 H112 N8 -
4
1
HU1008
Katrusiak, A.
Structure of 15-phenyl-14-dehydrosparteine
Acta Crystallographica Section C
1,993
49
5
900
902
10.1107/S0108270192012708
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Katrusiak, A. Structure of 15-phenyl-14-dehydrosparteine Acta Crystallographica Section C 49(5) (1993) 900-902
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001678.cif $ #-------------------------------------------------------------------...
2,001,679
20.449
0.004
11.473
0.002
13.025
0.002
90
null
108.91
0.01
90
null
2,890.9
0.9
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C20 H15 Cl -
- C20 H15 Cl -
- C160 H120 Cl8 -
8
2
CR0405
Carrell, H. L.
7-Chloromethyl-12-methylbenz[<i>a</i>]anthracene
Acta Crystallographica Section C
1,993
49
5
902
905
10.1107/S0108270192008278
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Carrell, H. L. 7-Chloromethyl-12-methylbenz[<i>a</i>]anthracene Acta Crystallographica Section C 49(5) (1993) 902-905
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001679.cif $ #-------------------------------------------------------------------...
4,063,475
15.6908
0.0002
11.1879
0.0002
17.9775
0.0003
90
null
96.9448
0.0014
90
null
3,132.74
0.09
150
2
150
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C35 H31 Cl2 N2 P Pd -
- C35 H31 Cl2 N2 P Pd -
- C140 H124 Cl8 N8 P4 Pd4 -
4
1
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man
Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes
Organometallics
2,010
29
2
463
472
10.1021/om9009203
x-ray
0.71073
MoKα
0.0307
0.0228
null
null
0.0556
0.0568
null
null
null
null
null
1.035
null
null
has coordinates
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes Organometallics 29(2) (2010) 463-472
178,529
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-21 06:41:29 +0200 (Mon, 21 Mar 2016) $ #$Revision: 178529 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/06/34/4063475.cif $ #-------------------------------------------------------------------...
2,001,680
24.113
0.005
11.02
0.005
12.065
0.004
90
null
100.07
0.02
90
null
3,156.6
1.9
null
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
null
- C30 H36 N3 O4 S3 -
- C33.5 H29 N3 O4 S3 -
- C134 H116 N12 O16 S12 -
4
1
AL1031
Evans, D. J.; Hughes, D. L.; Leigh, G. J.; Garcia, G.; Santana, M. D.
Structure of 4,7-bis(4-mercaptobenzoyl)-1-tosyl-1,4,7-triazacyclononane
Acta Crystallographica Section C
1,993
49
5
905
908
10.1107/S0108270192012770
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Evans, D. J.; Hughes, D. L.; Leigh, G. J.; Garcia, G.; Santana, M. D. Structure of 4,7-bis(4-mercaptobenzoyl)-1-tosyl-1,4,7-triazacyclononane Acta Crystallographica Section C 49(5) (1993) 905-908
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/2/00/16/2001680.cif $ #-------------------------------------------------------------------...
2,001,681
9.114
0.007
18.747
0.011
14.185
0.009
90
null
104.57
0.06
90
null
2,346
3
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C24 H39 Cl N2 O3 -
- C24 H38 Cl N2 O3 -
- C96 H152 Cl4 N8 O12 -
4
1
DU0340
Kettmann, V.; Frešová, E.; Sivý, J.; Gregáň, F.
Structure of <i>trans</i>-1-{2-[(2-butoxy)phenylcarbamoyloxy]cycloheptylmethyl}piperidinium chloride
Acta Crystallographica Section C
1,993
49
5
908
911
10.1107/S0108270192012459
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kettmann, V.; Frešová, E.; Sivý, J.; Gregáň, F. Structure of <i>trans</i>-1-{2-[(2-butoxy)phenylcarbamoyloxy]cycloheptylmethyl}piperidinium chloride Acta Crystallographica Section C 49(5) (1993) 908-911
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001681.cif $ #-------------------------------------------------------------------...
2,001,682
8.756
0.004
12.373
0.006
8.426
0.005
102.99
0.03
115.79
0.03
98.06
0.03
770.9
0.8
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C17 H16 N6 O4 -
- C17 H16 N6 O4 -
- C34 H32 N12 O8 -
2
1
AL1019
Agmon, I.; Ashkenazi, P.; Kaftory, M.
Structures of Diels–Alder reaction bis-adducts of 4-phenyl- or 4-methyl-1,2,4-triazoline-3,5-dione with 1,6-methano[10]annulene
Acta Crystallographica Section C
1,993
49
5
911
914
10.1107/S0108270192012241
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Agmon, I.; Ashkenazi, P.; Kaftory, M. Structures of Diels–Alder reaction bis-adducts of 4-phenyl- or 4-methyl-1,2,4-triazoline-3,5-dione with 1,6-methano[10]annulene Acta Crystallographica Section C 49(5) (1993) 911-914
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001682.cif $ #-------------------------------------------------------------------...
2,001,683
14.44
0.007
9.416
0.005
16.227
0.009
90
null
98.42
0.03
90
null
2,183
2
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C27 H20 N6 O4 -
- C27 H20 N6 O4 -
- C108 H80 N24 O16 -
4
1
AL1019
Agmon, I.; Ashkenazi, P.; Kaftory, M.
Structures of Diels–Alder reaction bis-adducts of 4-phenyl- or 4-methyl-1,2,4-triazoline-3,5-dione with 1,6-methano[10]annulene
Acta Crystallographica Section C
1,993
49
5
911
914
10.1107/S0108270192012241
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Agmon, I.; Ashkenazi, P.; Kaftory, M. Structures of Diels–Alder reaction bis-adducts of 4-phenyl- or 4-methyl-1,2,4-triazoline-3,5-dione with 1,6-methano[10]annulene Acta Crystallographica Section C 49(5) (1993) 911-914
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001683.cif $ #-------------------------------------------------------------------...
2,001,684
12.673
0.006
11.431
0.006
9.439
0.005
68.49
0.03
111.39
0.03
97.72
0.03
1,184.5
1.1
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C28 H23 N6 O5 -
- C28 H22 N6 O5 -
- C56 H44 N12 O10 -
2
1
AL1019
Agmon, I.; Ashkenazi, P.; Kaftory, M.
Structures of Diels–Alder reaction bis-adducts of 4-phenyl- or 4-methyl-1,2,4-triazoline-3,5-dione with 1,6-methano[10]annulene
Acta Crystallographica Section C
1,993
49
5
911
914
10.1107/S0108270192012241
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Agmon, I.; Ashkenazi, P.; Kaftory, M. Structures of Diels–Alder reaction bis-adducts of 4-phenyl- or 4-methyl-1,2,4-triazoline-3,5-dione with 1,6-methano[10]annulene Acta Crystallographica Section C 49(5) (1993) 911-914
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/2/00/16/2001684.cif $ #-------------------------------------------------------------------...
4,063,474
11.5499
0.0004
16.3133
0.0006
19.19
0.0007
90
null
96.712
0.001
90
null
3,590.9
0.2
150
2
150
2
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C38 H40 Br2 N3 O P Pd -
- C38 H40 Br2 N3 O P Pd -
- C152 H160 Br8 N12 O4 P4 Pd4 -
4
1
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man
Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes
Organometallics
2,010
29
2
463
472
10.1021/om9009203
x-ray
0.71073
MoKα
0.0288
0.0224
null
null
0.0572
0.0594
null
null
null
null
null
1.028
null
null
has coordinates
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes Organometallics 29(2) (2010) 463-472
178,529
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-21 06:41:29 +0200 (Mon, 21 Mar 2016) $ #$Revision: 178529 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/06/34/4063474.cif $ #-------------------------------------------------------------------...
2,001,685
7.349
0.001
10.613
0.002
11.721
0.002
84.42
0.01
79.42
0.01
83.23
0.01
889.7
0.3
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C16 H12 Cl4 N2 O3 -
- C16 H12 Cl4 N2 O3 -
- C32 H24 Cl8 N4 O6 -
2
1
GR0204
Toma, P. H.; Nguyen, D. N.; Byrn, S. R.
9-Chloro-2-ethoxy-6-nitroacridine
Acta Crystallographica Section C
1,993
49
5
914
916
10.1107/S0108270192011909
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Toma, P. H.; Nguyen, D. N.; Byrn, S. R. 9-Chloro-2-ethoxy-6-nitroacridine Acta Crystallographica Section C 49(5) (1993) 914-916
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001685.cif $ #-------------------------------------------------------------------...
2,001,686
5.322
0.002
10.531
0.003
12.939
0.002
90
null
99.2
0.02
90
null
715.9
0.4
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C10 H16 N4 Se3 -
- C10 H16 N4 Se3 -
- C20 H32 N8 Se6 -
2
1
AB1012
Billing, D. G.; Ferg, E. E.; Lai, L.-L.; Levendis, D. C.; Reid, D. H.
Structures of 2,3-diethyl-6,7-dihydro-5<i>H</i>-2aλ^4^-selena-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(3<i>H</i>)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2aλ^4^,3-triselena-4a,6a-diazacyclopenta[<i>cd</i>]pentalene
Acta Crystallographica Section C
1,993
49
5
917
921
10.1107/S0108270192011582
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billing, D. G.; Ferg, E. E.; Lai, L.-L.; Levendis, D. C.; Reid, D. H. Structures of 2,3-diethyl-6,7-dihydro-5<i>H</i>-2aλ^4^-selena-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(3<i>H</i>)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2aλ^4^,3-triselena-4a,6a-diazacyclopenta[<i>cd</i>]pentalene Acta Crys...
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001686.cif $ #-------------------------------------------------------------------...
2,001,687
8.005
0.001
13.717
0.002
11.95
0.001
90
null
93.42
0.01
90
null
1,309.8
0.3
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
null
- C9 H14 N4 Se3 -
- C9 H14 N4 Se3 -
- C36 H56 N16 Se12 -
4
1
AB1012
Billing, D. G.; Ferg, E. E.; Lai, L.-L.; Levendis, D. C.; Reid, D. H.
Structures of 2,3-diethyl-6,7-dihydro-5<i>H</i>-2aλ^4^-selena-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(3<i>H</i>)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2aλ^4^,3-triselena-4a,6a-diazacyclopenta[<i>cd</i>]pentalene
Acta Crystallographica Section C
1,993
49
5
917
921
10.1107/S0108270192011582
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Billing, D. G.; Ferg, E. E.; Lai, L.-L.; Levendis, D. C.; Reid, D. H. Structures of 2,3-diethyl-6,7-dihydro-5<i>H</i>-2aλ^4^-selena-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(3<i>H</i>)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2aλ^4^,3-triselena-4a,6a-diazacyclopenta[<i>cd</i>]pentalene Acta Crys...
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/2/00/16/2001687.cif $ #-------------------------------------------------------------------...
2,001,688
5.659
0.002
15.097
0.003
17.138
0.005
90
null
96.7
0.3
90
null
1,454.2
1.2
null
null
null
null
null
null
null
null
4
P 1 21 1
null
- C28 H33 N9 O10 -
- C28 H33 N9 O10 -
- C56 H66 N18 O20 -
2
1
GR1001
Bhat, B.; Wilson, S. R.; Leonard, N. J.
Structure of a covalently linked cross-section representative of a hydrogen-bonded dA^. ^dT base pair
Acta Crystallographica Section C
1,993
49
5
921
924
10.1107/S0108270192012009
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bhat, B.; Wilson, S. R.; Leonard, N. J. Structure of a covalently linked cross-section representative of a hydrogen-bonded dA^. ^dT base pair Acta Crystallographica Section C 49(5) (1993) 921-924
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001688.cif $ #-------------------------------------------------------------------...
4,063,473
15.7
0.004
18.927
0.005
21.459
0.005
90
null
90
null
90
null
6,377
3
150
2
150
2
null
null
null
null
6
P b c a
-P 2ac 2ab
61
- C35 H33 Cl2 N2 P Pd -
- C35 H33 Cl2 N2 P Pd -
- C280 H264 Cl16 N16 P8 Pd8 -
8
1
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man
Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes
Organometallics
2,010
29
2
463
472
10.1021/om9009203
x-ray
0.71073
MoKα
0.2059
0.0622
null
null
0.1286
0.1767
null
null
null
null
null
0.88
null
null
has coordinates
Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes Organometallics 29(2) (2010) 463-472
178,529
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-21 06:41:29 +0200 (Mon, 21 Mar 2016) $ #$Revision: 178529 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/06/34/4063473.cif $ #-------------------------------------------------------------------...
2,001,689
10.0317
0.0001
5.8539
0.0001
4.6768
0.0001
90
null
90
null
90
null
274.643
0.008
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
- Li Ni O4 P -
- Li Ni O4 P -
- Li4 Ni4 O16 P4 -
4
0.5
HA1024
Abrahams, I.; Easson, K. S.
Structure of lithium nickel phosphate
Acta Crystallographica Section C
1,993
49
5
925
926
10.1107/S0108270192013064
1.54056
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Abrahams, I.; Easson, K. S. Structure of lithium nickel phosphate Acta Crystallographica Section C 49(5) (1993) 925-926
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/2/00/16/2001689.cif $ #-------------------------------------------------------------------...
2,001,690
6.334
0.001
14.204
0.001
14.215
0.001
90
null
100.72
0.01
90
null
1,256.6
0.2
null
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C6 H10 Cl3 N5 O Zn -
- C6 H10 Cl3 N5 O Zn -
- C24 H40 Cl12 N20 O4 Zn4 -
4
1
LI1022
Maixner, J.; Zachová, J.
Structure of trichloro(9-methyladeninium)zinc(II) monohydrate
Acta Crystallographica Section C
1,993
49
5
927
929
10.1107/S0108270192010837
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maixner, J.; Zachová, J. Structure of trichloro(9-methyladeninium)zinc(II) monohydrate Acta Crystallographica Section C 49(5) (1993) 927-929
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001690.cif $ #-------------------------------------------------------------------...
2,001,691
15.427
0.002
8.323
0.003
11.772
0.005
90
null
90
null
90
null
1,511.5
0.9
null
null
null
null
null
null
null
null
5
P c a 21
P 2c -2ac
null
- C16 H15 N S U -
- C16 H15 N S U -
- C64 H60 N4 S4 U4 -
4
1
MU1000
Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.
Structure of tris(η^5^-cyclopentadienyl)uranium thiocyanate
Acta Crystallographica Section C
1,993
49
5
929
931
10.1107/S0108270192011211
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B. Structure of tris(η^5^-cyclopentadienyl)uranium thiocyanate Acta Crystallographica Section C 49(5) (1993) 929-931
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/2/00/16/2001691.cif $ #-------------------------------------------------------------------...
2,001,692
11.813
0.004
8.353
0.005
12.297
0.004
90
null
102.31
0.03
90
null
1,185.5
0.9
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C14 H14 Fe O2 -
- C14 H14 Fe O2 -
- C56 H56 Fe4 O8 -
4
1
HH0554
Zhu, Y.
Structure of 3-ferrocenyl-2-butenoic acid
Acta Crystallographica Section C
1,993
49
5
931
932
10.1107/S0108270192006632
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zhu, Y. Structure of 3-ferrocenyl-2-butenoic acid Acta Crystallographica Section C 49(5) (1993) 931-932
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/2/00/16/2001692.cif $ #-------------------------------------------------------------------...
2,001,693
4.9016
0.0008
7.975
0.001
8.413
0.007
100.4
0.01
102.417
0.001
94.083
0.001
313.8
0.3
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C4 H10 Cl N O -
- C4 H10 Cl N O -
- C8 H20 Cl2 N2 O2 -
2
1
AB1008
Bentzen, S.; Nielsen, P. H.; Anthoni, U.; Christophersen, C.; Gajhede, M.
3-Methoxyazetidinium chloride
Acta Crystallographica Section C
1,993
49
5
932
934
10.1107/S0108270192009314
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bentzen, S.; Nielsen, P. H.; Anthoni, U.; Christophersen, C.; Gajhede, M. 3-Methoxyazetidinium chloride Acta Crystallographica Section C 49(5) (1993) 932-934
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001693.cif $ #-------------------------------------------------------------------...
7,106,561
8.0268
0.0005
8.9535
0.0006
16.5775
0.0015
95.856
0.003
97.077
0.004
112.65
0.004
1,076.5
0.14
293
null
293
null
null
null
null
null
5
P -1
-P 1
2
catena-poly-[bis(u2-selenocyanato-k2N:S)-bis(pyridine-kN)cobalt(II)]
- C12 H10 Co N4 Se2 -
- C12 Co N4 Se2 -
- C36 Co3 N12 Se6 -
3
1.5
Jan Boeckmann; Christian Nather
Rational route to SCM materials based on 1-D cobalt selenocyanato coordination polymer
Chem. Commun.
2,011
47
7104
10.1039/c1cc12273h
powder diffraction
1.54056
CuKα
null
null
null
null
null
null
null
6.7157
null
null
null
null
null
null
has coordinates
Jan Boeckmann; Christian Nather Rational route to SCM materials based on 1-D cobalt selenocyanato coordination polymer Chem. Commun. 47 (2011) 7104
180,169
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180169 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106561.cif $ #-------------------------------------------------------------------...
2,001,694
7.732
0.002
9.533
0.003
14.725
0.005
90
null
90
null
90
null
1,085.4
0.6
null
null
null
null
null
null
null
null
4
P 21 a b
P -2b 2a
null
- C9 H16 O2 S2 -
- C9 H16 O2 S2 -
- C36 H64 O8 S8 -
4
1
SE1014
Brunck, J.-S.; Voss, J.; Olbrich, F.; Viebrock, H.
Structure and configuration of the Michael adduct of 2-(methylthio)thiolane <i>S</i>-oxide and butenone at 173 K
Acta Crystallographica Section C
1,993
49
5
934
936
10.1107/S0108270192013350
1.54051
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Brunck, J.-S.; Voss, J.; Olbrich, F.; Viebrock, H. Structure and configuration of the Michael adduct of 2-(methylthio)thiolane <i>S</i>-oxide and butenone at 173 K Acta Crystallographica Section C 49(5) (1993) 934-936
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001694.cif $ #-------------------------------------------------------------------...
2,001,695
17.32
0.002
17.32
0.002
16.963
0.002
90
null
90
null
120
null
4,406.9
0.9
null
null
null
null
null
null
null
null
4
R 3 2 :H
R 3 2"
155
- C10 H17 Cl N -
- C10 H17.5 Cl0.5 N -
- C180 H315 Cl9 N18 -
18
1
ST0476
Abboud, K. A.; Davis, R. E.; Chen, K.-M.; Whitesell, J. K.
Structure at 198 K of a chiral tricyclic aminochloride, C~10~H~17~N.0.5HCl
Acta Crystallographica Section C
1,993
49
5
936
938
10.1107/S0108270192012502
0.71069
mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Abboud, K. A.; Davis, R. E.; Chen, K.-M.; Whitesell, J. K. Structure at 198 K of a chiral tricyclic aminochloride, C~10~H~17~N.0.5HCl Acta Crystallographica Section C 49(5) (1993) 936-938
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/2/00/16/2001695.cif $ #-------------------------------------------------------------------...
2,001,696
6.023
0.002
8.007
0.003
20.877
0.009
90
null
90
null
90
null
1,006.8
0.7
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C12 H9 N Te -
- C12 H9 N Te -
- C48 H36 N4 Te4 -
4
1
ST1023
Junk, T.; Irgolic, K. J.; Reibenspies, J. H.; Meyers, E. A.
Structure of phenotellurazine
Acta Crystallographica Section C
1,993
49
5
938
940
10.1107/S0108270192011004
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Junk, T.; Irgolic, K. J.; Reibenspies, J. H.; Meyers, E. A. Structure of phenotellurazine Acta Crystallographica Section C 49(5) (1993) 938-940
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001696.cif $ #-------------------------------------------------------------------...
2,001,697
11.423
0.002
12.193
0.002
6.601
0.005
81
0.03
104.04
0.03
103.052
0.012
863.8
0.7
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C14 H22 N2 O2 S Si -
- C14 H22 N2 O2 S Si -
- C28 H44 N4 O4 S2 Si2 -
2
1
GR0202
Negron, A.; Barnes, C. L.; Soderquist, J. A.
1,1-Dimethyl-1-silacyclohexan-4-one tosylhydrazone
Acta Crystallographica Section C
1,993
49
5
940
942
10.1107/S0108270192012034
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Negron, A.; Barnes, C. L.; Soderquist, J. A. 1,1-Dimethyl-1-silacyclohexan-4-one tosylhydrazone Acta Crystallographica Section C 49(5) (1993) 940-942
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001697.cif $ #-------------------------------------------------------------------...
7,106,560
12.5221
0.0005
13.2875
0.0007
15.2441
0.0006
90
null
108.418
0.003
90
null
2,406.5
0.19
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C22 H20 Co N6 Se2 -
- C22 H20 Co N6 Se2 -
- C88 H80 Co4 N24 Se8 -
4
0.5
Jan Boeckmann; Christian Nather
Rational route to SCM materials based on 1-D cobalt selenocyanato coordination polymer
Chem. Commun.
2,011
47
7104
10.1039/c1cc12273h
0.71073
MoKα
0.0753
0.0592
null
null
0.113
0.1183
null
null
null
null
null
1.237
null
null
has coordinates
Jan Boeckmann; Christian Nather Rational route to SCM materials based on 1-D cobalt selenocyanato coordination polymer Chem. Commun. 47 (2011) 7104
301,853
2025-08-21
21:50:04
#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106560.cif $ #-------------------------------------------------------------------...
2,001,698
9.696
0.003
11.322
0.004
7.076
0.003
100.68
0.04
93.4
0.03
107.04
0.04
724.5
0.5
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C12 H18 Cl2 N2 O2 -
- C12 H18 Cl2 N2 O2 -
- C24 H36 Cl4 N4 O4 -
2
1
PA0264
Cousson, A.; Bachet, B.; Kokel, B.; Hubert-Habart, M.
Structure of <i>N</i>,<i>N</i>'-dimethyl-4,4'-bipyridylium dichloride dihydrate
Acta Crystallographica Section C
1,993
49
5
942
943
10.1107/S0108270191015019
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Cousson, A.; Bachet, B.; Kokel, B.; Hubert-Habart, M. Structure of <i>N</i>,<i>N</i>'-dimethyl-4,4'-bipyridylium dichloride dihydrate Acta Crystallographica Section C 49(5) (1993) 942-943
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001698.cif $ #-------------------------------------------------------------------...
2,001,699
11.6918
0.0004
6.407
0.0002
6.6988
0.0002
90
null
105.55
0.001
90
null
483.44
0.03
300
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- Cl2 D4 O2 Sr -
- Cl2 D4 O2 Sr -
- Cl8 D16 O8 Sr4 -
4
0.5
SH1018
Möller, H.; Lutz, H. D.
Profile structure refinement of SrCl~2~.2D~2~O by neutron powder diffraction
Acta Crystallographica Section C
1,993
49
5
944
946
10.1107/S0108270192011806
neutron
1.2268
neutron
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Möller, H.; Lutz, H. D. Profile structure refinement of SrCl~2~.2D~2~O by neutron powder diffraction Acta Crystallographica Section C 49(5) (1993) 944-946
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/16/2001699.cif $ #-------------------------------------------------------------------...
2,001,700
11.7008
0.0004
6.3697
0.0002
6.6477
0.0002
90
null
105.978
0.002
90
null
476.32
0.03
1.5
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- Cl2 D4 O2 Sr -
- Cl2 D4 O2 Sr -
- Cl8 D16 O8 Sr4 -
4
0.5
SH1018
Möller, H.; Lutz, H. D.
Profile structure refinement of SrCl~2~.2D~2~O by neutron powder diffraction
Acta Crystallographica Section C
1,993
49
5
944
946
10.1107/S0108270192011806
neutron
1.2268
neutron
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Möller, H.; Lutz, H. D. Profile structure refinement of SrCl~2~.2D~2~O by neutron powder diffraction Acta Crystallographica Section C 49(5) (1993) 944-946
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001700.cif $ #-------------------------------------------------------------------...
2,001,701
7.2
0.002
7.477
0.002
9.144
0.003
90
null
108.95
0.01
90
null
465.6
0.2
291
1
null
null
null
null
null
null
3
P 1 21/m 1
-P 2yb
11
- Br4 K2 Zn -
- Br4 K2 Zn -
- Br8 K4 Zn2 -
2
0.5
AL9484
Fábry, J.; Breczewski, T.; Zúñiga, F. J.; Arnaiz, A. R.
Structure determination of K~2~ZnBr~4~ at 291 and 144 K
Acta Crystallographica Section C
1,993
49
5
946
950
10.1107/S0108270192009508
1.54056
CuKαradiationforpowderdiffraction
null
0.0282
null
null
0.0315
null
null
null
null
1.123
1.123
null
null
null
has coordinates
Fábry, J.; Breczewski, T.; Zúñiga, F. J.; Arnaiz, A. R. Structure determination of K~2~ZnBr~4~ at 291 and 144 K Acta Crystallographica Section C 49(5) (1993) 946-950
205,956
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-31 13:05:05 +0200 (Wed, 31 Jan 2018) $ #$Revision: 205956 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001701.cif $ #-------------------------------------------------------------------...
2,001,702
7.204
0.003
7.413
0.004
9.028
0.005
90
null
108.67
0.03
90
null
456.8
0.4
144
3
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- Br4 K2 Zn -
- Br4 K2 Zn -
- Br8 K4 Zn2 -
2
1
AL9484
Fábry, J.; Breczewski, T.; Zúñiga, F. J.; Arnaiz, A. R.
Structure determination of K~2~ZnBr~4~ at 291 and 144 K
Acta Crystallographica Section C
1,993
49
5
946
950
10.1107/S0108270192009508
1.54056
CuKαradiationforpowderdiffraction
null
0.0493
null
null
0.0597
null
null
null
null
1.318
1.318
null
null
null
has coordinates
Fábry, J.; Breczewski, T.; Zúñiga, F. J.; Arnaiz, A. R. Structure determination of K~2~ZnBr~4~ at 291 and 144 K Acta Crystallographica Section C 49(5) (1993) 946-950
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001702.cif $ #-------------------------------------------------------------------...
7,106,559
21.222
0.019
17.716
0.016
14.376
0.013
90
null
127.821
0.009
90
null
4,270
7
293
2
293
2
null
null
null
null
5
C 1 2/m 1
-C 2y
12
- C21 H25 N4 O10 Zn2 -
- C21 H16 N4 O10 Zn2 -
- C84 H64 N16 O40 Zn8 -
4
0.5
Yun Ling,; Zhen-Xia Chen; Fu-Peng Zhai; Ya-Ming Zhou; Lin-Hong Weng; Dong-Yuan Zhao
A zinc(II) metal-organic framework based on triazole and dicarboxylate ligands for selective adsorption of hexane isomers
Chem.Commun.
2,011
47
7197
10.1039/c1cc12253c
0.71073
MoKα
0.1251
0.0816
null
null
0.2263
0.2674
null
null
null
null
null
1.08
null
null
has coordinates
Yun Ling,; Zhen-Xia Chen; Fu-Peng Zhai; Ya-Ming Zhou; Lin-Hong Weng; Dong-Yuan Zhao A zinc(II) metal-organic framework based on triazole and dicarboxylate ligands for selective adsorption of hexane isomers Chem.Commun. 47 (2011) 7197
180,169
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180169 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106559.cif $ #-------------------------------------------------------------------...
2,001,703
10.255
0.001
10.26
0.002
14.466
0.004
75.87
0.03
96.81
0.02
118.44
0.01
1,297.9
0.5
293
null
null
null
null
null
null
null
4
P -1
-P 1
2
- K8 Mo6 O24 Th -
- K8 Mo6 O24 Th -
- K16 Mo12 O48 Th2 -
2
1
DU1012
Huyghe, M.; Lee, M.-R.; Jaulmes, S.; Quarton, M.
Structure de K~8~Th(MoO~4~)~6~
Acta Crystallographica Section C
1,993
49
5
950
954
10.1107/S0108270192012204
0.71069
MoKα
null
0.068
null
null
0.064
null
null
null
null
1.89
1.89
null
null
null
has coordinates
Huyghe, M.; Lee, M.-R.; Jaulmes, S.; Quarton, M. Structure de K~8~Th(MoO~4~)~6~ Acta Crystallographica Section C 49(5) (1993) 950-954
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/2/00/17/2001703.cif $ #-------------------------------------------------------------------...
2,001,704
14.863
0.003
15.751
0.003
11.94
0.003
90
null
122.51
0.01
90
null
2,357.2
0.9
213
1
null
null
null
null
null
null
4
C 1 c 1
C -2yc
null
- C26 H34 O2 Sn -
- C26 H34 O2 Sn -
- C104 H136 O8 Sn4 -
4
1
SH1008
Reuter, H.; Schröder, D.
Triphenyltin(IV) isobutoxide isobutanol solvate
Acta Crystallographica Section C
1,993
49
5
954
956
10.1107/S0108270192011569
0.71
MoKα
null
0.023
null
null
0.062
null
null
null
null
1.029
1.029
null
null
null
has coordinates
Reuter, H.; Schröder, D. Triphenyltin(IV) isobutoxide isobutanol solvate Acta Crystallographica Section C 49(5) (1993) 954-956
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/2/00/17/2001704.cif $ #-------------------------------------------------------------------...
2,001,705
9.146
0.004
8.65
0.004
6.622
0.003
109.05
0.04
71.05
0.04
109.03
0.05
453.9
0.4
295
2
null
null
null
null
null
null
7
P -1
-P 1
2
- C8 H10 Br2 Cl4 N6 O2 Pd -
- C8 H10 Br2 Cl4 N6 O2 Pd -
- C8 H10 Br2 Cl4 N6 O2 Pd -
1
0.5
NA1012
Casellato, U.; Ettorre, R.; Graziani, R.
Bis(5-bromocytosinium) tetrachloropalladate(II)
Acta Crystallographica Section C
1,993
49
5
956
957
10.1107/S0108270192011429
0.7107
MoKα
null
0.031
null
null
0.031
null
null
null
null
0.777
0.777
null
null
null
has coordinates
Casellato, U.; Ettorre, R.; Graziani, R. Bis(5-bromocytosinium) tetrachloropalladate(II) Acta Crystallographica Section C 49(5) (1993) 956-957
277,834
2022-09-14
16:39:43
#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001705.cif $ #-------------------------------------------------------------------...
2,001,706
15.352
0.002
18.876
0.004
18.423
0.004
90
null
103.71
0.01
90
null
5,186.6
1.7
293
null
293
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
2-(η^2^-Dithioformato)-2-(triphenylphosphine)-1,7-dicarba-2-rhoda-closo- dodecaborane(12)
- C22 H27 B9 P Rh S2 -
- C21 H27 B9 P Rh S2 -
- C168 H216 B72 P8 Rh8 S16 -
8
2
AB1043
Ferguson, G.; Couglan, S.; Spalding, T. R.
2-(η^2^-Dithioformato)-2-(triphenylphosphine)-1,7-dicarba-2-rhoda-<i>closo</i>-dodecaborane(12)
Acta Crystallographica Section C
1,993
49
5
957
961
10.1107/S010827019201223X
0.7093
MolybdenumKα
null
0.027
null
null
0.038
null
null
null
null
1.44
1.44
null
null
null
has coordinates
Ferguson, G.; Couglan, S.; Spalding, T. R. 2-(η^2^-Dithioformato)-2-(triphenylphosphine)-1,7-dicarba-2-rhoda-<i>closo</i>-dodecaborane(12) Acta Crystallographica Section C 49(5) (1993) 957-961
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/2/00/17/2001706.cif $ #-------------------------------------------------------------------...
2,001,707
9.822
0.005
13.676
0.007
13.998
0.004
90
null
96.86
0.03
90
null
1,866.8
1.5
298
3
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C10 H25 Cl2 N5 Ni O8 -
- C10 H25 Cl2 N5 Ni O9 -
- C40 H100 Cl8 N20 Ni4 O36 -
4
1
AS1020
Lu, T.-H.; Lan, W.-J.; Chung, C.-S.
Structure of (1,4,7,10,13-Pentaazacyclopentadecane-<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^10^,<i>N</i>^13^)(perchlorato-<i>O</i>)nickel(II) perchlorate
Acta Crystallographica Section C
1,993
49
5
961
963
10.1107/S0108270192011405
0.7093
MoKα
null
0.066
null
null
0.074
null
null
null
null
2.03
2.03
null
null
null
has coordinates
Lu, T.-H.; Lan, W.-J.; Chung, C.-S. Structure of (1,4,7,10,13-Pentaazacyclopentadecane-<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^10^,<i>N</i>^13^)(perchlorato-<i>O</i>)nickel(II) perchlorate Acta Crystallographica Section C 49(5) (1993) 961-963
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001707.cif $ #-------------------------------------------------------------------...
7,106,558
13.207
0.002
22.515
0.003
15.273
0.002
90
null
106.601
0.002
90
null
4,352.2
1
100
2
100
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C44 H63 Cl Ge2 N4 -
- C44 H63 Cl Ge2 N4 -
- C176 H252 Cl4 Ge8 N16 -
4
1
Sankaranarayana Pillai Sarish; Sakya S. Sen; Herbert W. Roesky; Ina Objartel; Dietmar Stalke
Elegant approach to spacer arranged silagermylene and bis(germylene) compounds
Chem.Commun.
2,011
47
7206
10.1039/c1cc12205c
0.71073
MoKα
0.0459
0.0325
null
null
0.0642
0.069
null
null
null
null
null
1.038
null
null
has coordinates
Sankaranarayana Pillai Sarish; Sakya S. Sen; Herbert W. Roesky; Ina Objartel; Dietmar Stalke Elegant approach to spacer arranged silagermylene and bis(germylene) compounds Chem.Commun. 47 (2011) 7206
301,853
2025-08-21
21:50:04
#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106558.cif $ #-------------------------------------------------------------------...
2,001,708
8.7974
0.0005
11.8717
0.0007
10.779
0.0009
90
null
108.212
0.005
90
null
1,069.37
0.13
293
null
293
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C8 H24 F8 O4 S4 Zr2 -
- C8 H24 F8 O4 S4 Zr2 -
- C16 H48 F16 O8 S8 Zr4 -
2
0.5
DU1016
Gao, Y.; Guery, J.; Jacoboni, C.
Structures of [Zr~2~F~8~(dmso)~4~] and [ZrF~4~(dmso)(H~2~O)~2~].2H~2~O
Acta Crystallographica Section C
1,993
49
5
963
965
10.1107/S0108270192012472
0.71073
MoKα
null
0.023
null
null
0.023
null
null
null
null
0.907
0.907
null
null
null
has coordinates
Gao, Y.; Guery, J.; Jacoboni, C. Structures of [Zr~2~F~8~(dmso)~4~] and [ZrF~4~(dmso)(H~2~O)~2~].2H~2~O Acta Crystallographica Section C 49(5) (1993) 963-965
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/2/00/17/2001708.cif $ #-------------------------------------------------------------------...
2,001,709
7.357
0.004
8.318
0.004
9.627
0.005
99.95
0.02
98.76
0.02
108.61
0.02
536.2
0.5
293
null
293
null
null
null
null
null
6
P -1
-P 1
2
- C2 H14 F4 O5 S Zr -
- C2 H14 F4 O5 S Zr -
- C4 H28 F8 O10 S2 Zr2 -
2
1
DU1016
Gao, Y.; Guery, J.; Jacoboni, C.
Structures of [Zr~2~F~8~(dmso)~4~] and [ZrF~4~(dmso)(H~2~O)~2~].2H~2~O
Acta Crystallographica Section C
1,993
49
5
963
965
10.1107/S0108270192012472
0.71073
MoKα
null
0.021
null
null
0.021
null
null
null
null
2.21
2.21
null
null
null
has coordinates
Gao, Y.; Guery, J.; Jacoboni, C. Structures of [Zr~2~F~8~(dmso)~4~] and [ZrF~4~(dmso)(H~2~O)~2~].2H~2~O Acta Crystallographica Section C 49(5) (1993) 963-965
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/2/00/17/2001709.cif $ #-------------------------------------------------------------------...
2,001,710
7.96
0.001
20.467
0.002
11.565
0.001
90
null
125.06
0.01
90
null
1,542.3
0.3
301
null
301
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
dichlorobis-μ-{1-[4-chloro-(2-oxido-1:2κ^2^O')-phenyliminomethyl]naphalen- 2-olato}-1κ^2^N,O;2κ^2^N,O-diiron(III)
- C34 H20 Cl4 Fe2 N2 O4 -
- C34 H20 Cl4 Fe2 N2 O4 -
- C68 H40 Cl8 Fe4 N4 O8 -
2
0.5
SH1022
Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H.
Structure of bis[chloro{1-[(4-chloro-2-hydroxyphenyl)iminomethyl]naphthalen-2-olato-<i>O</i>,<i>O</i>',<i>N</i>}iron(III)]
Acta Crystallographica Section C
1,993
49
5
965
967
10.1107/S0108270192012228
0.71069
MoKα
null
0.0685
null
null
0.0489
null
null
null
null
null
null
null
null
null
has coordinates
Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H. Structure of bis[chloro{1-[(4-chloro-2-hydroxyphenyl)iminomethyl]naphthalen-2-olato-<i>O</i>,<i>O</i>',<i>N</i>}iron(III)] Acta Crystallographica Section C 49(5) (1993) 965-967
190,528
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-15 01:53:32 +0200 (Sun, 15 Jan 2017) $ #$Revision: 190528 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001710.cif $ #-------------------------------------------------------------------...
2,001,711
13.7594
0.0006
5.9786
0.0003
17.843
0.0012
90
null
106.115
0.005
90
null
1,410.12
0.14
293
null
293
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
1-Ferrocenyl-1-phenylethanol
racemic 1-Ferrocenyl-1-phenylethanol
- C18 H18 Fe O -
- C18 H17.35 Fe O -
- C72 H69.4 Fe4 O4 -
4
1
LI1034
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Zakaria, C. M.
Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol)
Acta Crystallographica Section C
1,993
49
5
967
971
10.1107/S0108270192011715
0.7093
MolybdenumKα
0.04
0.025
null
0.038
0.034
null
null
null
null
1.25
1.25
null
null
null
has coordinates
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Zakaria, C. M. Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol) Acta Crystallographica Section C 49(5) (1993) 967-971
191,977
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-02-10 18:21:58 +0200 (Fri, 10 Feb 2017) $ #$Revision: 191977 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001711.cif $ #-------------------------------------------------------------------...
7,106,557
13.1815
0.001
22.4798
0.0017
15.222
0.0011
90
null
106.388
0.001
90
null
4,327.3
0.6
99
2
99
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C44 H63 Cl Ge N4 Si -
- C44 H63 Cl Ge N4 Si -
- C176 H252 Cl4 Ge4 N16 Si4 -
4
1
Sankaranarayana Pillai Sarish; Sakya S. Sen; Herbert W. Roesky; Ina Objartel; Dietmar Stalke
Elegant approach to spacer arranged silagermylene and bis(germylene) compounds
Chem.Commun.
2,011
47
7206
10.1039/c1cc12205c
0.71073
MoKα
0.0453
0.0318
null
null
0.0673
0.0722
null
null
null
null
null
1.047
null
null
has coordinates
Sankaranarayana Pillai Sarish; Sakya S. Sen; Herbert W. Roesky; Ina Objartel; Dietmar Stalke Elegant approach to spacer arranged silagermylene and bis(germylene) compounds Chem.Commun. 47 (2011) 7206
301,853
2025-08-21
21:50:04
#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106557.cif $ #-------------------------------------------------------------------...
2,001,712
7.8205
0.0004
11.0274
0.0004
11.7715
0.0006
105.707
0.004
106.128
0.005
102.403
0.004
891.45
0.09
293
null
293
null
null
null
null
null
4
P -1
-P 1
2
Ferrocenyl(diphenyl)methanol
Ferrocenyl(diphenyl)methanol
- C23 H20 Fe O -
- C23 H20 Fe O -
- C46 H40 Fe2 O2 -
2
1
LI1034
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Zakaria, C. M.
Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol)
Acta Crystallographica Section C
1,993
49
5
967
971
10.1107/S0108270192011715
0.7093
MolybdenumKα
0.039
0.03
null
0.05
0.049
null
null
null
null
1.46
1.46
null
null
null
has coordinates
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Zakaria, C. M. Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol) Acta Crystallographica Section C 49(5) (1993) 967-971
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/2/00/17/2001712.cif $ #-------------------------------------------------------------------...
2,001,713
13.2841
0.0006
23.2856
0.0012
18.8106
0.0008
90
null
105.482
0.004
90
null
5,607.5
0.5
293
null
293
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Ferrocene-1,1'-diylbis(diphenylmethanol)
Ferrocene-1,1'-diylbis(diphenylmethanol)
- C36 H30 Fe O2 -
- C36 H30 Fe O2 -
- C288 H240 Fe8 O16 -
8
1
LI1034
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Zakaria, C. M.
Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol)
Acta Crystallographica Section C
1,993
49
5
967
971
10.1107/S0108270192011715
0.7093
MolybdenumKα
0.06
0.036
null
0.055
0.049
null
null
null
null
1.37
1.37
null
null
null
has coordinates
Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Zakaria, C. M. Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol) Acta Crystallographica Section C 49(5) (1993) 967-971
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001713.cif $ #-------------------------------------------------------------------...
2,001,714
16.164
0.002
14.747
0.001
8.3073
0.0006
90.86
0.07
112.82
0.06
108.74
0.08
1,706.2
1.4
294
null
294
null
null
null
null
null
3
P -1
-P 1
2
Dimethyl 9-methyl-9,10-dihydro-9,10-ethenoanthracene-11,12- dicarboxylate
- C21 H18 O4 -
- C21 H18 O4 -
- C84 H72 O16 -
4
2
BR1025
Pokkuluri, P. R.; Trotter, J.
Structure of dimethyl 9-methyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Acta Crystallographica Section C
1,993
49
5
971
973
10.1107/S0108270192012022
1.54056
CopperKα
null
0.066
null
null
0.084
null
null
null
null
3
3
null
null
null
has coordinates
Pokkuluri, P. R.; Trotter, J. Structure of dimethyl 9-methyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section C 49(5) (1993) 971-973
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001714.cif $ #-------------------------------------------------------------------...
7,106,556
9.091
0.0003
9.918
0.0003
34.352
0.0011
90.0897
0.0019
93.55
0.002
101.84
0.0015
3,025.29
0.17
125
2
125
2
null
null
null
null
5
P -1
-P 1
2
[Fe12a(C16)(Py)2](125)
- C62 H96 Fe N4 O8 -
- C62 H96 Fe N4 O8 -
- C124 H192 Fe2 N8 O16 -
2
1
Stephan Schlamp; Birgit Weber; Anil D. Naik; Yann Garcia
Cooperative spin transition in a lipid layer like system
Chem.Commun.
2,011
47
7152
10.1039/c1cc12162f
0.71073
MoKα
0.1114
0.0594
null
null
0.126
0.1485
null
null
null
null
null
1.033
null
null
has coordinates
Stephan Schlamp; Birgit Weber; Anil D. Naik; Yann Garcia Cooperative spin transition in a lipid layer like system Chem.Commun. 47 (2011) 7152
301,853
2025-08-21
21:50:04
#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106556.cif $ #-------------------------------------------------------------------...
2,001,715
13.698
0.004
8.944
0.004
16.67
0.01
90
null
112.02
0.04
90
null
1,893.3
1.6
296
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C7 H21 Cl6 N3 Te -
- C7 H21 Cl6 N3 Te -
- C28 H84 Cl24 N12 Te4 -
4
1
CR1030
Herrara, C.; Zingaro, R. A.; Meyers, E. A.
Structure of dimethylammonium <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylformamidinium hexachlorotellurate(IV)
Acta Crystallographica Section C
1,993
49
5
973
975
10.1107/S010827019201196X
0.71073
Mo
null
0.0766
null
null
0.0423
null
null
null
null
1.91
1.91
null
null
null
has coordinates
Herrara, C.; Zingaro, R. A.; Meyers, E. A. Structure of dimethylammonium <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylformamidinium hexachlorotellurate(IV) Acta Crystallographica Section C 49(5) (1993) 973-975
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001715.cif $ #-------------------------------------------------------------------...
2,001,716
7.298
0.002
12.542
0.003
7.944
0.002
90
null
116.05
0.02
90
null
653.3
0.3
296
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C10 H6 Cl2 N2 Te2 -
- C10 H6 Cl2 N2 Te2 -
- C20 H12 Cl4 N4 Te4 -
2
0.5
CR1041
Junk, T.; Irgolic, K. J.; Meyers, E. A.
Bis(3-chloro-2-pyridyl) ditelluride
Acta Crystallographica Section C
1,993
49
5
975
976
10.1107/S0108270192011983
0.71073
MoKα
null
0.0351
null
null
0.0577
null
null
null
null
1.76
1.76
null
null
null
has coordinates
Junk, T.; Irgolic, K. J.; Meyers, E. A. Bis(3-chloro-2-pyridyl) ditelluride Acta Crystallographica Section C 49(5) (1993) 975-976
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001716.cif $ #-------------------------------------------------------------------...
2,001,717
11.086
0.002
11.086
0.002
14.367
0.004
90
null
90
null
120
null
1,529.1
0.6
null
null
null
null
null
null
null
null
5
P 31 2 1
P 31 2"
null
- C21 H29 Cl N2 O -
- C21 H29 Cl N2 O -
- C63 H87 Cl3 N6 O3 -
3
0.5
LI1010
Marsh, R. E.
On the structure of 9-amino-2,7-di-<i>tert</i>-butylacridine
Acta Crystallographica Section C
1,993
49
1
193
10.1107/S0108270192005201
1.54178
CuKα
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Marsh, R. E. On the structure of 9-amino-2,7-di-<i>tert</i>-butylacridine Acta Crystallographica Section C 49(1) (1993) 193
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001717.cif $ #-------------------------------------------------------------------...
2,001,718
6.104
0.001
8.933
0.003
16.062
0.003
90
null
90
null
90
null
875.8
0.4
293
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
null
- C6 H11 N O5 S -
- C6 H11 N O5 S -
- C24 H44 N4 O20 S4 -
4
1
HE1003
Portalone, G.; Cassetta, A.; Pagani Zecchini, G.; Torrini, I.
(3<i>R</i>,5<i>R</i>)-Tetrahydro-2<i>H</i>-1,4-thiazine-3,5-dicarboxylic acid monohydrate
Acta Crystallographica Section C
1,993
49
5
976
978
10.1107/S0108270192011181
1.54184
Cu
null
0.0511
null
null
0.069
null
null
null
null
0.214
0.214
null
null
null
has coordinates
Portalone, G.; Cassetta, A.; Pagani Zecchini, G.; Torrini, I. (3<i>R</i>,5<i>R</i>)-Tetrahydro-2<i>H</i>-1,4-thiazine-3,5-dicarboxylic acid monohydrate Acta Crystallographica Section C 49(5) (1993) 976-978
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001718.cif $ #-------------------------------------------------------------------...
7,106,555
9.9758
0.0002
10.0579
0.0002
31.5743
0.0007
90.3395
0.0011
97.4097
0.0011
97.2664
0.0012
3,115.54
0.11
250
2
250
2
null
null
null
null
The complex Fe12a(C16)(MeOH)2 and pyridine were heated to reflux in methanol for six hours. After cooling and H2O diffunding into the solution, black crystals of [Fe12a(C16)(Py)2] were obtained within 50 days.
5
P -1
-P 1
2
[Fe12a(C16)(Py)2](250)
- C62 H96 Fe N4 O8 -
- C62 H96 Fe N4 O8 -
- C124 H192 Fe2 N8 O16 -
2
1
Stephan Schlamp; Birgit Weber; Anil D. Naik; Yann Garcia
Cooperative spin transition in a lipid layer like system
Chem.Commun.
2,011
47
7152
10.1039/c1cc12162f
0.71073
MoKα
0.212
0.0703
null
null
0.1554
0.2016
null
null
null
null
null
0.993
null
null
has coordinates,has disorder
Stephan Schlamp; Birgit Weber; Anil D. Naik; Yann Garcia Cooperative spin transition in a lipid layer like system Chem.Commun. 47 (2011) 7152
301,853
2025-08-21
21:50:04
#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106555.cif $ #-------------------------------------------------------------------...
2,001,719
10.745
0.005
11.435
0.005
13.003
0.006
90
null
90
null
90
null
1,597.7
1.3
293
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C19 H21 N O4 -
- C19 H21 N O4 -
- C76 H84 N4 O16 -
4
1
KA1013
Ribár, B.; Kapor, A.; Gašić, O.; Kanyó, I.; Engel, P.
Structure of sinoacutine
Acta Crystallographica Section C
1,993
49
5
978
980
10.1107/S0108270192011417
0.7107
MoKα
null
0.057
null
null
null
null
null
null
null
0.968
0.968
null
null
null
has coordinates
Ribár, B.; Kapor, A.; Gašić, O.; Kanyó, I.; Engel, P. Structure of sinoacutine Acta Crystallographica Section C 49(5) (1993) 978-980
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001719.cif $ #-------------------------------------------------------------------...
2,001,720
5.0846
0.0002
27.374
0.001
7.4008
0.0003
90
null
109.528
0.003
90
null
970.83
0.07
138
2
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C10 H13 N O3 -
- C10 H13 N O3 -
- C40 H52 N4 O12 -
4
1
ST1027
Xiao, G.; van der Helm, D.; Hider, R. C.; Dobbin, P. S.
3-[1-(Ethylamino)ethylidene]-6-methyl-3<i>H</i>-pyran-2,4-dione
Acta Crystallographica Section C
1,993
49
5
980
982
10.1107/S0108270192010928
1.54178
CuKα
null
0.039
null
null
0.059
null
null
null
null
2.6
2.6
null
null
null
has coordinates
Xiao, G.; van der Helm, D.; Hider, R. C.; Dobbin, P. S. 3-[1-(Ethylamino)ethylidene]-6-methyl-3<i>H</i>-pyran-2,4-dione Acta Crystallographica Section C 49(5) (1993) 980-982
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/2/00/17/2001720.cif $ #-------------------------------------------------------------------...
2,001,721
7.521
0.001
10.872
0.002
22.901
0.003
90
null
90
null
90
null
1,872.6
0.5
295
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C22 H24 N2 O4 -
- C22 H24 N2 O4 -
- C88 H96 N8 O16 -
4
1
LI1028
Priya, V.; Shamala, N.; Viswamitra, M. A.; Ravindran, T.; Jeyaraman, R.
Structure of 2,4-bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one
Acta Crystallographica Section C
1,993
49
5
983
985
10.1107/S0108270192011375
1.5418
CuKα
null
0.059
null
null
0.05
null
null
null
null
1.87
1.87
null
null
null
has coordinates
Priya, V.; Shamala, N.; Viswamitra, M. A.; Ravindran, T.; Jeyaraman, R. Structure of 2,4-bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one Acta Crystallographica Section C 49(5) (1993) 983-985
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001721.cif $ #-------------------------------------------------------------------...
2,001,722
7.742
0.002
8.886
0.002
13.101
0.003
97.39
0.02
94.35
0.02
91.42
0.02
890.7
0.4
105
null
105
null
null
null
null
null
4
P -1
-P 1
2
Muscarine picrate
(±)-(2S,4R,5S)-tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-2-furanaminium picrate
- C15 H22 N4 O9 -
- C15 H22 N4 O9 -
- C30 H44 N8 O18 -
2
1
AB1045
Frydenvang, K.; Jensen, B.
Structures of muscarine picrate and muscarine tetraphenylborate
Acta Crystallographica Section C
1,993
49
5
985
990
10.1107/S0108270192012198
0.71073
MoKα
null
0.033
null
null
0.042
null
null
null
null
1.484
1.484
null
null
null
has coordinates
Frydenvang, K.; Jensen, B. Structures of muscarine picrate and muscarine tetraphenylborate Acta Crystallographica Section C 49(5) (1993) 985-990
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/2/00/17/2001722.cif $ #-------------------------------------------------------------------...
2,001,723
9.936
0.002
30.21
0.005
9.771
0.001
90
null
111.34
0.01
90
null
2,731.8
0.8
105
null
105
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Muscarine tetraphenylborate
(±)-(2S,4R,5S)-tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-2-furanaminium tetraphenylborate
- C33 H40 B N O2 -
- C34 B N O2 -
- C136 B4 N4 O8 -
4
1
AB1045
Frydenvang, K.; Jensen, B.
Structures of muscarine picrate and muscarine tetraphenylborate
Acta Crystallographica Section C
1,993
49
5
985
990
10.1107/S0108270192012198
0.71073
MoKα
null
0.13
null
null
0.127
null
null
null
null
2.885
2.885
null
null
null
has coordinates
Frydenvang, K.; Jensen, B. Structures of muscarine picrate and muscarine tetraphenylborate Acta Crystallographica Section C 49(5) (1993) 985-990
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/2/00/17/2001723.cif $ #-------------------------------------------------------------------...
7,106,554
8.1916
0.001
12.7099
0.0016
16.097
0.002
90
null
97.767
0.002
90
null
1,660.6
0.4
90
null
90
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Ethyl 2-(6,6-bis(trifluoromethylsulfonyl)cyclohex-2-enyl)acetate
- C12 H14 F6 O6 S2 -
- C12 H14 F6 O6 S2 -
- C48 H56 F24 O24 S8 -
4
1
Hikaru Yanai; Masaya Fujita; Takeo Taguchi
A regioselective synthesis of poly-substituted aryl triflones through self-promoting three component reaction
Chem.Commun.
2,011
47
7245
10.1039/c1cc12093j
0.71073
MoKα
0.0385
0.0317
null
null
0.0757
0.0798
null
null
null
null
null
1
null
null
has coordinates
Hikaru Yanai; Masaya Fujita; Takeo Taguchi A regioselective synthesis of poly-substituted aryl triflones through self-promoting three component reaction Chem.Commun. 47 (2011) 7245
301,853
2025-08-21
21:50:04
#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301853 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106554.cif $ #-------------------------------------------------------------------...
2,001,724
8.054
0.003
16.013
0.01
7.48
0.003
90
null
111.28
0.03
90
null
898.9
0.8
293
2
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
null
- C7 H2 Br2 O4 -
- C7 H2 Br2 O4 -
- C28 H8 Br8 O16 -
4
1
MU1003
Kožíšek, J.; Dvorský, A.; Végh, D.; Jakubcová, M.; Ječný, J.
Structure of 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione, C~7~H~2~Br~2~O~4~
Acta Crystallographica Section C
1,993
49
5
990
992
10.1107/S0108270192011454
1.54178
CuKα
null
0.0525
null
null
0.0623
null
null
null
null
2.3
2.3
null
null
null
has coordinates
Kožíšek, J.; Dvorský, A.; Végh, D.; Jakubcová, M.; Ječný, J. Structure of 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione, C~7~H~2~Br~2~O~4~ Acta Crystallographica Section C 49(5) (1993) 990-992
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/17/2001724.cif $ #-------------------------------------------------------------------...