file
int64
a
float64
siga
float64
b
float64
sigb
float64
c
float64
sigc
float64
alpha
float64
sigalpha
float64
beta
float64
sigbeta
float64
gamma
float64
siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
float64
cellpressure
float64
sigcellpressure
float64
diffrpressure
float64
sigdiffrpressure
float64
thermalhist
string
pressurehist
string
compoundsource
string
nel
string
sg
string
sgHall
string
sgNumber
int64
commonname
string
chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
Zprime
float64
acce_code
string
authors
string
title
string
journal
string
year
int64
volume
int64
issue
string
firstpage
string
lastpage
string
doi
string
method
string
radiation
string
wavelength
float64
radType
string
radSymbol
string
Rall
float64
Robs
float64
Rref
float64
wRall
float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
gofobs
float64
gofgt
float64
gofref
float64
duplicateof
int64
optimal
int64
status
string
flags
string
text
string
svnrevision
int64
date
string
time
string
onhold
string
cif_text
string
2,010,861
10.242
0.001
10.874
0.002
23.168
0.005
92.5
0.02
100.39
0.02
97.6
0.02
2,509.6
0.8
293
2
293
2
null
null
null
null
7
P -1
-P 1
2
[Chlorocobalt(III)(μ-C-meso-5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-N-acetato-N,N',N'',N''',O:O')trichlorozinc(II)]
- C18 H37 Cl4 Co N4 O2 Zn -
- C18 H37 Cl4 Co N4 O2 Zn -
- C72 H148 Cl16 Co4 N16 O8 Zn4 -
4
2
QA0245
Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun
(μ-<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>-acetato-1κ^5^<i>N,N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>:2κ<i>O</i>')tetrachloro-1κ<i>Cl</i>,2κ^3^<i>Cl</i>-cobalt(III)zinc(II)
Acta Crystallographica Section C
2,000
56
4
e128
e129
10.1107/S0108270100003504
0.71073
MoKα
0.12
0.052
null
null
null
0.131
null
null
null
null
null
0.932
null
null
has coordinates
Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun (μ-<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>-acetato-1κ^5^<i>N,N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>:2κ<i>O</i>')tetrachloro-1κ<i>Cl</i>,2κ^3^<i>Cl</i>-cobalt(III)zinc(II) Acta Cr...
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010861.cif $ #-------------------------------------------------------------------...
2,010,862
8.76
0.002
32.09
0.002
6.269
0.002
90
null
90
null
90
null
1,762.3
0.7
248
1
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C18 H24 O3 S -
- C18 H24 O3 S -
- C72 H96 O12 S4 -
4
1
QA0246
Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru
(+)-3-{(4<i>S</i>,5<i>S</i>)-5-[1,1-Dimethyl-2-(phenylthio)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl}prop-2-yn-1-ol
Acta Crystallographica Section C
2,000
56
4
e142
e143
10.1107/S0108270100003371
1.54184
CuKα
null
0.04
null
null
null
0.108
null
null
null
null
null
1.08
null
null
has coordinates,has Fobs
Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru (+)-3-{(4<i>S</i>,5<i>S</i>)-5-[1,1-Dimethyl-2-(phenylthio)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl}prop-2-yn-1-ol Acta Crystallographica Section C 56(4) (2000) e142-e143
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010862.cif $ #-------------------------------------------------------------------...
2,010,863
8.73
0.001
10.052
0.001
14.998
0.002
90
null
99.36
0.01
90
null
1,298.6
0.3
173
2
173
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C14 H16 N2 O2 -
- C14 H16 N2 O2 -
- C56 H64 N8 O8 -
4
1
QA0247
Ould, Mohammed Sydia Mohamed Said; Djerrari, Bahia; El Abbassi, M'Barek; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael
4-Acetonylidene-1-ethyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one
Acta Crystallographica Section C
2,000
56
4
e165
e166
10.1107/S0108270100003826
0.71073
MoKα
0.046
0.039
null
null
null
0.113
null
null
null
null
null
1.068
null
null
has coordinates,has Fobs
Ould, Mohammed Sydia Mohamed Said; Djerrari, Bahia; El Abbassi, M'Barek; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael 4-Acetonylidene-1-ethyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one Acta Crystallographica Section C 56(4) (2000) e165-e166
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010863.cif $ #-------------------------------------------------------------------...
2,010,864
8.9821
0.0014
10.856
0.0018
14.3002
0.0019
91.279
0.016
107.901
0.016
107.173
0.015
1,257.9
0.4
294
1
294
1
null
null
null
null
7
P -1
-P 1
2
cis-Dichloro(dimethylaminomethylene)(triphenylphosphine)palladium(II)
- C24 H28 Cl2 N O P Pd -
- C24 H28 Cl2 N O P Pd -
- C48 H56 Cl4 N2 O2 P2 Pd2 -
2
1
QA0248
McCrindle, Robert; McAlees, Alan J.; Zang, Erle; Ferguson, George
<i>cis</i>-Dichloro(dimethylaminomethylene)(triphenylphosphine)palladium(II) acetone solvate
Acta Crystallographica Section C
2,000
56
4
e132
e133
10.1107/S0108270100003838
0.71073
MoKα
0.041
0.028
null
null
null
0.063
null
null
null
null
null
1.024
null
null
has coordinates
McCrindle, Robert; McAlees, Alan J.; Zang, Erle; Ferguson, George <i>cis</i>-Dichloro(dimethylaminomethylene)(triphenylphosphine)palladium(II) acetone solvate Acta Crystallographica Section C 56(4) (2000) e132-e133
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010864.cif $ #-------------------------------------------------------------------...
2,010,865
10.485
0.003
8.179
0.001
20.985
0.001
90
null
100.98
0.01
90
null
1,766.7
0.6
248
1
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Cyclohex-1-enecarboxylic acid benzyl-(2-methoxy-phenyl)-amide
- C21 H23 N O2 -
- C21 H23 N O2 -
- C84 H92 N4 O8 -
4
1
QA0250
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu
<i>N</i>-Benzyl-<i>N</i>-(2-methoxyphenyl)cyclohex-1-enecarboxamide
Acta Crystallographica Section C
2,000
56
4
e151
e151
10.1107/S0108270100004029
1.54184
CuKα
null
0.055
null
null
null
0.159
null
null
null
null
null
1.04
null
null
has coordinates,has Fobs
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu <i>N</i>-Benzyl-<i>N</i>-(2-methoxyphenyl)cyclohex-1-enecarboxamide Acta Crystallographica Section C 56(4) (2000) e151-e151
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010865.cif $ #-------------------------------------------------------------------...
2,010,866
17.479
0.003
9.1
0.002
21.494
0.003
90
null
101.94
0.01
90
null
3,344.8
1.1
248
1
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
N-Isopropyl-N-{(E)-2-phenyl-propenyl}-thiobenzamide
- C19 H21 N S -
- C19 H21 N S -
- C152 H168 N8 S8 -
8
1
QA0252
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu
<i>N</i>-Isopropyl-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide and <i>N</i>-isopropyl-3-methoxy-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide
Acta Crystallographica Section C
2,000
56
4
e152
e153
10.1107/S0108270100004030
1.54184
CuKα
null
0.046
null
null
null
0.134
null
null
null
null
null
1.06
null
null
has coordinates,has Fobs
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu <i>N</i>-Isopropyl-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide and <i>N</i>-isopropyl-3-methoxy-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide Acta Crystallographica Section C 56(4) (2000) e152-e153
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010866.cif $ #-------------------------------------------------------------------...
2,010,867
19.483
0.001
9.111
0.001
21.611
0.002
90
null
105.39
0.01
90
null
3,698.6
0.6
248
1
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
N-Isopropyl-3-methoxy-N-{(E)-2-phenyl-propenyl}-thiobenzamide
- C20 H23 N O S -
- C20 H23 N O S -
- C160 H184 N8 O8 S8 -
8
1
QA0252
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu
<i>N</i>-Isopropyl-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide and <i>N</i>-isopropyl-3-methoxy-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide
Acta Crystallographica Section C
2,000
56
4
e152
e153
10.1107/S0108270100004030
1.54184
CuKα
null
0.035
null
null
null
0.101
null
null
null
null
null
1.02
null
null
has coordinates,has Fobs
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu <i>N</i>-Isopropyl-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide and <i>N</i>-isopropyl-3-methoxy-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide Acta Crystallographica Section C 56(4) (2000) e152-e153
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010867.cif $ #-------------------------------------------------------------------...
2,010,868
10.057
0.003
8.344
0.003
17.962
0.004
90
null
100.13
0.02
90
null
1,483.8
0.8
298
1
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
N-Methyl-N-{(Z)-2-phenyl-propenyl}-thiobenzamide
- C17 H17 N S -
- C17 H17 N S -
- C68 H68 N4 S4 -
4
1
QA0253
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu
<i>N</i>-Methyl-<i>N</i>-[(<i>Z</i>)-2-phenylpropenyl]thiobenzamide
Acta Crystallographica Section C
2,000
56
4
e154
e154
10.1107/S0108270100004042
0.71073
MoKα
null
0.066
null
null
null
0.175
null
null
null
null
null
1.02
null
null
has coordinates,has Fobs
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu <i>N</i>-Methyl-<i>N</i>-[(<i>Z</i>)-2-phenylpropenyl]thiobenzamide Acta Crystallographica Section C 56(4) (2000) e154-e154
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010868.cif $ #-------------------------------------------------------------------...
2,010,869
11.166
0.001
13.423
0.001
10.878
0.001
90
null
90
null
90
null
1,630.4
0.2
298
1
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
2-Isopropyl-4-methyl-4-phenyl-3,4-dihydro-2H-isoquinoline-1-thione
- C19 H21 N S -
- C19 H21 N S -
- C76 H84 N4 S4 -
4
1
QA0254
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu
2-Isopropyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline-1-thione
Acta Crystallographica Section C
2,000
56
4
e155
e155
10.1107/S0108270100004054
0.71073
MoKα
null
0.043
null
null
null
0.124
null
null
null
null
null
1.06
null
null
has coordinates,has Fobs
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu 2-Isopropyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline-1-thione Acta Crystallographica Section C 56(4) (2000) e155-e155
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010869.cif $ #-------------------------------------------------------------------...
2,010,870
21.4651
0.0012
13.3773
0.0008
23.3868
0.0014
90
null
90
null
90
null
6,715.4
0.7
193
2
193
2
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C32 H19 F20 Ga N2 -
- C32 H19 F20 Ga N2 -
- C256 H152 F160 Ga8 N16 -
8
1
QB0173
Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F.
Bis(isopropylamino)methylcarbenium tetrakis(pentafluorophenyl)gallate
Acta Crystallographica Section C
2,000
56
4
e134
e135
10.1107/S0108270100003899
0.71073
MoKα
0.114
0.045
null
null
null
0.075
null
null
null
null
null
1.014
null
null
has coordinates
Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F. Bis(isopropylamino)methylcarbenium tetrakis(pentafluorophenyl)gallate Acta Crystallographica Section C 56(4) (2000) e134-e135
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010870.cif $ #-------------------------------------------------------------------...
2,010,871
10.904
0.003
13.184
0.004
10.352
0.002
99.74
0.02
97.24
0.02
80.06
0.02
1,437.5
0.7
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
trans-[Co(acac)~2~(PMePh~2~)(MeOH)]PF~6~.H~2~O
trans-(Methanol)(methyldiphenylphosphine)bis(pentane-2,4-dionato)cobalt(III) Hexafluorophosphate Hydrate
- C24 H33 Co F6 O6 P2 -
- C24 H31 Co F6 O5.776 P2 -
- C48 H62 Co2 F12 O11.552 P4 -
2
1
QB0187
Suzuki, Takayoshi
<i>trans</i>-(Methanol)(methyldiphenylphosphine)bis(pentane-2,4-dionato)cobalt(III) hexafluorophosphate hydrate
Acta Crystallographica Section C
2,000
56
4
e118
e119
10.1107/S0108270100002894
0.71073
MoKα
0.194
0.055
null
null
null
0.167
null
null
null
null
null
0.965
null
null
has coordinates
Suzuki, Takayoshi <i>trans</i>-(Methanol)(methyldiphenylphosphine)bis(pentane-2,4-dionato)cobalt(III) hexafluorophosphate hydrate Acta Crystallographica Section C 56(4) (2000) e118-e119
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010871.cif $ #-------------------------------------------------------------------...
2,010,872
7.1304
0.0004
6.9381
0.0004
13.415
0.0007
90
null
90.901
0.004
90
null
663.58
0.06
297
null
297
null
null
null
null
null
3
P 1 21 1
P 2yb
4
1,2-dihydro-2-(1,2-dihydroxyprop-2-yl)-8H-furo[2,3-h]benzopyran-8-one monohydrate
- C14 H16 O6 -
- C14 H16 O6 -
- C28 H32 O12 -
2
1
QB0188
Billiot, Fereshteh Haddadian; Billodeaux, Damon R.; Watkins, Steven F.; Fronczek, Frank R.
A chiral furocoumarin
Acta Crystallographica Section C
2,000
56
4
e136
e137
10.1107/S0108270100002705
1.54184
CuKα
0.038
0.036
null
null
null
0.097
null
null
null
null
null
1.07
null
null
has coordinates,has Fobs
Billiot, Fereshteh Haddadian; Billodeaux, Damon R.; Watkins, Steven F.; Fronczek, Frank R. A chiral furocoumarin Acta Crystallographica Section C 56(4) (2000) e136-e137
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010872.cif $ #-------------------------------------------------------------------...
2,010,873
33.654
0.009
30.229
0.008
6.798
0.002
90
null
94.74
0.01
90
null
6,892
3
123
2
123
2
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
Bis-[(4,4"-didecyloxy-p-terphenyl-2'-yl)methyl]carbonate
- C79 H110 O7 -
- C79 H110 O7 -
- C316 H440 O28 -
4
1
QB0192
Gupta, Sakuntala; Palmer, R. A.; Potter, B. S.; Frampton, C. S.; Tschierske, Carsten; SenGupta, S. P.
A double mesogen based on linked <i>p</i>-terphenyl units
Acta Crystallographica Section C
2,000
56
4
e156
e156
10.1107/S0108270100003279
0.71073
MoKα
0.242
0.071
null
0.201
null
0.13
null
null
1.016
null
null
1.16
null
null
has coordinates,has Fobs
Gupta, Sakuntala; Palmer, R. A.; Potter, B. S.; Frampton, C. S.; Tschierske, Carsten; SenGupta, S. P. A double mesogen based on linked <i>p</i>-terphenyl units Acta Crystallographica Section C 56(4) (2000) e156-e156
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010873.cif $ #-------------------------------------------------------------------...
2,010,874
7.68
0.0011
8.576
0.002
8.889
0.002
88.29
0.02
78.46
0.02
67.29
0.02
528.4
0.2
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
Bis(pyridilate)nickel(II)
bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoate-O^1^,N,N']nickel(II)
- C24 H18 N4 Ni O6 -
- C24 H16 N4 Ni O6 -
- C24 H16 N4 Ni O6 -
1
0.5
QB0193
Abrahams, Brendan F.; Hoskins, Bernard F.; Hudson, Timothy A.; Robson, Richard
Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-<i>O</i>^1^,<i>N</i>,<i>N</i>']nickel(II)
Acta Crystallographica Section C
2,000
56
4
e126
e127
10.1107/S0108270100003401
1.5418
CuKα
0.056
0.046
null
null
null
0.131
null
null
null
null
null
1.071
null
null
has coordinates,has Fobs
Abrahams, Brendan F.; Hoskins, Bernard F.; Hudson, Timothy A.; Robson, Richard Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-<i>O</i>^1^,<i>N</i>,<i>N</i>']nickel(II) Acta Crystallographica Section C 56(4) (2000) e126-e127
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010874.cif $ #-------------------------------------------------------------------...
2,010,875
7.7763
0.0008
15.736
0.002
8.839
0.0014
90
null
96.56
0.011
90
null
1,074.5
0.2
293
2
293
2
null
null
null
null
5
P 1 21 1
P 2yb
4
Bis(pyridilate)nickel(II)
bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoate-O^1^,N,N']nickel(II)
- C24 H18 N4 Ni O6 -
- C24 H16 N4 Ni O6 -
- C48 H32 N8 Ni2 O12 -
2
1
QB0193
Abrahams, Brendan F.; Hoskins, Bernard F.; Hudson, Timothy A.; Robson, Richard
Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-<i>O</i>^1^,<i>N</i>,<i>N</i>']nickel(II)
Acta Crystallographica Section C
2,000
56
4
e126
e127
10.1107/S0108270100003401
1.5418
CuKα
0.055
0.044
null
null
null
0.116
null
null
null
null
null
1.054
null
null
has coordinates,has Fobs
Abrahams, Brendan F.; Hoskins, Bernard F.; Hudson, Timothy A.; Robson, Richard Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-<i>O</i>^1^,<i>N</i>,<i>N</i>']nickel(II) Acta Crystallographica Section C 56(4) (2000) e126-e127
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010875.cif $ #-------------------------------------------------------------------...
2,010,876
8.7124
0.0012
9.0659
0.0005
12.7901
0.0015
87.537
0.008
86.992
0.01
87.873
0.008
1,007.3
0.19
163
2
163
2
null
null
null
null
3
P -1
-P 1
2
1,3,5-Tri(chloromethyl)benzene
- C9 H9 Cl3 -
- C9 H9 Cl3 -
- C36 H36 Cl12 -
4
2
QB0195
Bryan, Jeffrey C.; Burnett, Michael N.; Sachleben, Richard A.
1,3,5-Tris(chloromethyl)benzene
Acta Crystallographica Section C
2,000
56
4
e167
e167
10.1107/S0108270100003875
0.71073
MoKα
0.052
0.032
null
null
null
0.088
null
null
null
null
null
1.041
null
null
has coordinates
Bryan, Jeffrey C.; Burnett, Michael N.; Sachleben, Richard A. 1,3,5-Tris(chloromethyl)benzene Acta Crystallographica Section C 56(4) (2000) e167-e167
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010876.cif $ #-------------------------------------------------------------------...
2,010,877
12.474
0.003
15.213
0.004
10.684
0.003
90
null
105.95
0.03
90
null
1,949.4
0.9
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
4-Hydroxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid(4-oxo-2-propyl-4H-quinazolin-3-yl)-amide
- C22 H20 N4 O4 -
- C22 H20 N4 O4 -
- C88 H80 N16 O16 -
4
1
QB0196
Shishkina, S. V.; Shishkin, O. V.; Ukrainets, I. V.; Jaradat, N. A.; Gorokhova, O. V.
4-Hydroxy-1-methyl-2-oxo-<i>N</i>-(4-oxo-2-propyl-3,4-dihydroquinazolin-3-yl)-1,2-dihydroquinoline-3-carboxamide
Acta Crystallographica Section C
2,000
56
4
e168
e169
10.1107/S0108270100003887
0.71073
MoKα
0.134
0.064
null
null
null
0.19
null
null
null
null
null
0.955
null
null
has coordinates,has Fobs
Shishkina, S. V.; Shishkin, O. V.; Ukrainets, I. V.; Jaradat, N. A.; Gorokhova, O. V. 4-Hydroxy-1-methyl-2-oxo-<i>N</i>-(4-oxo-2-propyl-3,4-dihydroquinazolin-3-yl)-1,2-dihydroquinoline-3-carboxamide Acta Crystallographica Section C 56(4) (2000) e168-e169
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010877.cif $ #-------------------------------------------------------------------...
2,010,878
6.6583
0.0001
13.733
0.002
17.414
0.001
90
null
116.57
0.01
90
null
1,424.1
0.3
100
2
100
2
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
BEDT-TTF
bis(ethylenedithio)tetrathiafulvalene
- C10 H8 S8 -
- C10 H8 S8 -
- C40 H32 S32 -
4
1
SK1337
Philippe Guionneau; Daniel Chasseau; Judith A.K. Howard; Peter Day
Neutral bis(ethylenedithio)tetrathiafulvalene at 100K
Acta Crystallographica Section C
2,000
56
4
453
454
10.1107/S0108270199016753
0.71073
MoKα
0.0399
0.0273
null
null
null
0.061
null
null
null
null
null
1.086
null
null
has coordinates,has Fobs
Philippe Guionneau; Daniel Chasseau; Judith A.K. Howard; Peter Day Neutral bis(ethylenedithio)tetrathiafulvalene at 100K Acta Crystallographica Section C 56(4) (2000) 453-454
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010878.cif $ #-------------------------------------------------------------------...
2,010,879
8.4937
0.0006
8.5226
0.0004
27.884
0.004
90
null
90
null
90
null
2,018.5
0.3
293
2
293
2
null
null
null
null
7
P 21 21 21
P 2ac 2ab
19
Poly[[bis(dimethyl sulfoxide-κO)tris(thiocyanato-κN)manganese(II)]-μ- thiocyanato-κ^2^N:S-mercury(II)]
- C8 H12 Hg Mn N4 O2 S6 -
- C8 H12 Hg Mn N4 O2 S6 -
- C32 H48 Hg4 Mn4 N16 O8 S24 -
4
1
SK1349
Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong
Poly[[bis(dimethyl sulfoxide-κ<i>O</i>)tris(thiocyanato-κ<i>N</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-mercury(II)]
Acta Crystallographica Section C
2,000
56
4
418
420
10.1107/S0108270199016765
0.71073
MoKα
0.07
0.043
null
null
null
0.112
null
null
null
null
null
1.027
null
null
has coordinates,has Fobs
Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong Poly[[bis(dimethyl sulfoxide-κ<i>O</i>)tris(thiocyanato-κ<i>N</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-mercury(II)] Acta Crystallographica Section C 56(4) (2000) 418-420
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010879.cif $ #-------------------------------------------------------------------...
2,010,880
12.877
0.001
15.079
0.002
16.212
0.003
65.1
0.02
71.71
0.02
69.93
0.02
2,628.4
0.8
295
2
293
2
null
null
null
null
6
P -1
-P 1
2
Di-μ-chlorobis[N-2-hydroxybuthyl)salicylideneiminato-N,O,O'copper(II)] methanol hydrate (1/1/1).
- C45 H62 Cl4 Cu4 N4 O10 -
- C45 H62 Cl4 Cu4 N4 O10 -
- C90 H124 Cl8 Cu8 N8 O20 -
2
1
AV1033
Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria
A 1:1 cocrystal of di-μ-chloro-bis{[<i>N</i>-(1-hydroxybut-2-yl)salicylideneiminato-<i>N</i>,<i>O</i>,<i>O</i>']copper(II)} monohydrate and its methanol solvate
Acta Crystallographica Section C
2,000
56
5
562
563
10.1107/S0108270100002559
0.71073
MoKα
0.0549
0.0458
null
null
null
0.1186
null
null
null
null
null
1.095
null
null
has coordinates,has Fobs
Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria A 1:1 cocrystal of di-μ-chloro-bis{[<i>N</i>-(1-hydroxybut-2-yl)salicylideneiminato-<i>N</i>,<i>O</i>,<i>O</i>']copper(II)} monohydrate and its methanol solvate Acta Crystallographica Section C 56(5) (2000) 562-563
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010880.cif $ #-------------------------------------------------------------------...
2,010,881
9.727
0.002
13.781
0.002
9.956
0.002
90
null
90.46
0.02
90
null
1,334.5
0.4
293
2
293
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
tris-(2-cyanoethyl)isocyanuric acid
tris-(2-cyanoethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- C12 H12 N6 O3 -
- C12 H12 N6 O3 -
- C48 H48 N24 O12 -
4
1
BK1500
Thallapally, Praveen K.; Desiraju, Gautam R.; tris-(2-cyanoethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Tris(2-cyanoethyl) isocyanurate
Acta Crystallographica Section C
2,000
56
5
572
573
10.1107/S0108270100001396
0.71073
MoKα
0.095
0.063
null
0.19
0.157
null
null
null
1.067
1.109
1.109
null
null
null
has coordinates,has Fobs
Thallapally, Praveen K.; Desiraju, Gautam R.; tris-(2-cyanoethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Tris(2-cyanoethyl) isocyanurate Acta Crystallographica Section C 56(5) (2000) 572-573
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010881.cif $ #-------------------------------------------------------------------...
2,010,882
9.4539
0.0002
11.8134
0.0003
12.8999
0.0003
86.918
0.001
83.194
0.001
77.308
0.001
1,395.02
0.06
193
2
null
null
null
null
null
null
7
P -1
-P 1
2
((Trimethylsilyl)amino)gallium dichloride THF
Dichloro(tetrahydrofuran-O)[(trimethylsilyl)amido-N]gallium(III)
- C7 H18 Cl2 Ga N O Si -
- C7 H12 Cl2 Ga N O Si -
- C28 H48 Cl8 Ga4 N4 O4 Si4 -
4
2
BK1507
Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees Jr, William S.
Dichloro(tetrahydrofuran-<i>O</i>)[(trimethylsilyl)amido-<i>N</i>]gallium(III)
Acta Crystallographica Section C
2,000
56
5
560
561
10.1107/S010827010000247X
0.71073
MoKα
null
0.038
null
null
null
0.108
null
null
null
null
null
1.03
null
null
has coordinates,has Fobs
Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees Jr, William S. Dichloro(tetrahydrofuran-<i>O</i>)[(trimethylsilyl)amido-<i>N</i>]gallium(III) Acta Crystallographica Section C 56(5) (2000) 560-561
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010882.cif $ #-------------------------------------------------------------------...
2,010,883
11.368
0.002
16.922
0.003
11.092
0.002
103.26
0.02
117.8
0.01
89.64
0.02
1,824.6
0.6
296
2
296
2
null
null
null
null
6
P -1
-P 1
2
1,2:1,3-Bis(μ-p-toluato-O:O')-1-(triphenylphosphine-P)- 1-ruthena-closo-undecaborane
- C34 H37 B10 O4 P Ru -
- C34 H37 B10 O4 P Ru -
- C68 H74 B20 O8 P2 Ru2 -
2
1
BK1512
Nie, Yong; Hu, Chun-Hua; Wu, Qiang-Jin; Lu, Shao-Fang; Jin, Ruo-Shui; Zheng, Pei-Ju
1,2:1,3-Bis(μ-<i>p</i>-toluato-<i>O</i>:<i>O</i>')-1-(triphenylphosphine-<i>P</i>)-1-ruthena-<i>closo</i>-undecaborane
Acta Crystallographica Section C
2,000
56
5
536
537
10.1107/S0108270100001207
0.71069
MoKα
0.057
0.041
null
null
null
0.123
null
null
null
null
null
1.023
null
null
has coordinates,has Fobs
Nie, Yong; Hu, Chun-Hua; Wu, Qiang-Jin; Lu, Shao-Fang; Jin, Ruo-Shui; Zheng, Pei-Ju 1,2:1,3-Bis(μ-<i>p</i>-toluato-<i>O</i>:<i>O</i>')-1-(triphenylphosphine-<i>P</i>)-1-ruthena-<i>closo</i>-undecaborane Acta Crystallographica Section C 56(5) (2000) 536-537
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010883.cif $ #-------------------------------------------------------------------...
2,010,884
4.032
0.002
5.717
0.001
9.626
0.001
86.04
0.01
80.6
0.02
86.09
0.03
218.02
0.12
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
2,5-bis(methylthio)-1,4-benzoquinone
2,5-Bis(methylthio)-1,4-benzoquinone
- C8 H8 O2 S2 -
- C8 H8 O2 S2 -
- C8 H8 O2 S2 -
1
0.5
BK1513
Parvez, Masood; Mesher, Shaun T.; Clark, Peter D.
2,5-Bis(methylthio)-1,4-benzoquinone and 2-methyl-3-(methylsulfonyl)benzo[<i>b</i>]thiophene
Acta Crystallographica Section C
2,000
56
5
574
576
10.1107/S0108270100001402
1.54178
CuKα
0.044
0.043
null
null
null
0.111
null
null
null
null
null
1.15
null
null
has coordinates
Parvez, Masood; Mesher, Shaun T.; Clark, Peter D. 2,5-Bis(methylthio)-1,4-benzoquinone and 2-methyl-3-(methylsulfonyl)benzo[<i>b</i>]thiophene Acta Crystallographica Section C 56(5) (2000) 574-576
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010884.cif $ #-------------------------------------------------------------------...
2,010,885
5.8228
0.0005
10.44
0.001
8.6217
0.0009
90
null
99.57
0.01
90
null
516.82
0.09
293
2
293
2
null
null
null
null
4
P 1 21 1
P 2yb
4
2-Methyl-3-(methylsulfonyl)benzo[b]thiophene
2-Methyl-3-(methylsulfonyl)benzo[b]thiophene
- C10 H10 O2 S2 -
- C10 H10 O2 S2 -
- C20 H20 O4 S4 -
2
1
BK1513
Parvez, Masood; Mesher, Shaun T.; Clark, Peter D.
2,5-Bis(methylthio)-1,4-benzoquinone and 2-methyl-3-(methylsulfonyl)benzo[<i>b</i>]thiophene
Acta Crystallographica Section C
2,000
56
5
574
576
10.1107/S0108270100001402
0.71069
MoKα
0.046
0.029
null
null
null
0.109
null
null
null
null
null
1.19
null
null
has coordinates,has Fobs
Parvez, Masood; Mesher, Shaun T.; Clark, Peter D. 2,5-Bis(methylthio)-1,4-benzoquinone and 2-methyl-3-(methylsulfonyl)benzo[<i>b</i>]thiophene Acta Crystallographica Section C 56(5) (2000) 574-576
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010885.cif $ #-------------------------------------------------------------------...
2,010,886
12.3629
0.0007
6.7768
0.0004
16.9374
0.0012
90
null
101.151
0.006
90
null
1,392.24
0.15
294
2
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C12 H17 Na O6 -
- C12 H17 Na O6 -
- C48 H68 Na4 O24 -
4
1
BM1395
Muir, Kenneth W.; Macdonald, Alistair; Murray, Alistair; Macdonald, Allison
Sodium dihydrogen tris(cyclopropanecarboxylate)
Acta Crystallographica Section C
2,000
56
5
534
535
10.1107/S0108270100001128
0.71073
MoKα
null
0.042
null
null
null
0.125
null
null
null
null
null
1.017
null
null
has coordinates,has disorder,has Fobs
Muir, Kenneth W.; Macdonald, Alistair; Murray, Alistair; Macdonald, Allison Sodium dihydrogen tris(cyclopropanecarboxylate) Acta Crystallographica Section C 56(5) (2000) 534-535
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010886.cif $ #-------------------------------------------------------------------...
2,010,887
17.995
0.004
16.601
0.003
16.879
0.003
90
null
114.52
0.03
90
null
4,587.6
1.9
293
2
293
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C20 H25 Cl2 Cu N4 O6.5 -
- C20 H25 Cl2 Cu N4 O6.5 -
- C160 H200 Cl16 Cu8 N32 O52 -
8
1
BM1397
Koman, Marian; Seglá, Peter; Jamnický, Miroslav; Glowiak, Tadeusz
Chlorobis[4,4-bis(hydroxymethyl)-2-(2-pyridyl)-4,5-dihydrooxazole-<i>N</i>,<i>N</i>']copper(II) chloride hemihydrate
Acta Crystallographica Section C
2,000
56
5
554
555
10.1107/S0108270100001633
0.71073
MoKα
0.0632
0.0284
null
null
null
0.0518
null
null
null
null
null
0.804
null
null
has coordinates,has Fobs
Koman, Marian; Seglá, Peter; Jamnický, Miroslav; Glowiak, Tadeusz Chlorobis[4,4-bis(hydroxymethyl)-2-(2-pyridyl)-4,5-dihydrooxazole-<i>N</i>,<i>N</i>']copper(II) chloride hemihydrate Acta Crystallographica Section C 56(5) (2000) 554-555
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010887.cif $ #-------------------------------------------------------------------...
2,010,888
8.9439
0.0009
11.5231
0.0012
12.0135
0.0012
63.663
0.003
68.248
0.003
75.966
0.003
1,026.06
0.18
180
2
180
2
null
null
null
null
5
P -1
-P 1
2
- C25 H21 N3 O2 S -
- C25 H21 N3 O2 S -
- C50 H42 N6 O4 S2 -
2
1
BM1400
Jain, Subhash C.; Bharadvaja, Aparna; Kumar, Rohtash; Agarwal, Deepti; Errington, William
3-[4-(3,4-Dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
Acta Crystallographica Section C
2,000
56
5
592
593
10.1107/S0108270100001815
0.71073
MoKα
0.0704
0.0434
null
null
null
0.1156
null
null
null
null
null
0.957
null
null
has coordinates,has Fobs
Jain, Subhash C.; Bharadvaja, Aparna; Kumar, Rohtash; Agarwal, Deepti; Errington, William 3-[4-(3,4-Dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one Acta Crystallographica Section C 56(5) (2000) 592-593
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010888.cif $ #-------------------------------------------------------------------...
2,010,889
14.3618
0.0001
10.46
0.0001
7.5779
0.0001
90
null
90
null
90
null
1,138.39
0.02
190
2
190
2
null
null
null
null
4
P n a 21
P 2c -2n
33
- C5 H16 B8 N2 -
- C5 H16 B8 N2 -
- C20 H64 B32 N8 -
4
1
BR1272
Price, Caroline; Dörfler, Udo; Kennedy, John D.; Thornton-Pett, Mark
Polyhedral azaborane chemistry, 6-(C~5~H~5~N)-<i>arachno</i>-4-NB~8~H~11~
Acta Crystallographica Section C
2,000
56
5
600
601
10.1107/S0108270100002742
0.71073
MoKα
0.0365
0.0348
null
null
null
0.0931
null
null
null
null
null
1.067
null
null
has coordinates,has Fobs
Price, Caroline; Dörfler, Udo; Kennedy, John D.; Thornton-Pett, Mark Polyhedral azaborane chemistry, 6-(C~5~H~5~N)-<i>arachno</i>-4-NB~8~H~11~ Acta Crystallographica Section C 56(5) (2000) 600-601
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010889.cif $ #-------------------------------------------------------------------...
2,010,890
10.066
0.001
9.681
0.002
10.234
0.001
90
null
119.78
0.001
90
null
865.6
0.2
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
potassium trinickel arsenate diarsenate
- As3 K Ni3 O11 -
- As3 K Ni3 O11 -
- As12 K4 Ni12 O44 -
4
1
BR1273
Ben Smail, Ridha; Jouini, Tahar
KNi~3~(AsO~4~)(As~2~O~7~)
Acta Crystallographica Section C
2,000
56
5
513
514
10.1107/S0108270100000792
0.71069
MoKα
0.059
0.032
null
0.066
null
0.059
null
null
1.098
null
null
1.144
null
null
has coordinates
Ben Smail, Ridha; Jouini, Tahar KNi~3~(AsO~4~)(As~2~O~7~) Acta Crystallographica Section C 56(5) (2000) 513-514
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010890.cif $ #-------------------------------------------------------------------...
2,010,891
5.7354
0.0011
5.7354
0.0011
4.6635
0.0018
90
null
90
null
120
null
132.85
0.06
298
2
298
2
null
null
null
null
3
P -3 m 1
-P 3 2"
164
potassium hexafluoro titanate
dipotassium hexafluorotitanate(IV)
- F6 K2 Ti -
- F6 K2 Ti -
- F6 K2 Ti -
1
0.083333
BR1278
Göbel, Ole
Rerefinement of K~2~[TiF~6~]
Acta Crystallographica Section C
2,000
56
5
521
522
10.1107/S0108270100002560
0.71073
MoKα
0.04
0.028
null
null
null
0.05
null
null
null
null
null
1.152
null
null
has coordinates,has Fobs
Göbel, Ole Rerefinement of K~2~[TiF~6~] Acta Crystallographica Section C 56(5) (2000) 521-522
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010891.cif $ #-------------------------------------------------------------------...
2,010,892
6.2394
0.0008
11.6342
0.0008
14.1648
0.0012
89.697
0.007
88.44
0.009
81.32
0.008
1,016.07
0.17
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
Calcium(II) meso-2,3-diphenylsuccinate heptahydrate
Calcium(II) meso-2,3-diphenylsuccinate heptahydrate
- C16 H26 Ca O11 -
- C16 H26 Ca O11 -
- C32 H52 Ca2 O22 -
2
1
DA1102
Morin, Gregory, T.; Shang, Maoyu; Smith, Bradley D.; Calcium(II) meso-2,3-diphenylsuccinate heptahydrate
Calcium(II) <i>meso</i>-2,3-diphenylsuccinate heptahydrate
Acta Crystallographica Section C
2,000
56
5
544
545
10.1107/S0108270100001578
0.71073
MoKα
0.035
0.032
null
0.083
0.079
null
null
null
1.057
1.056
1.056
null
null
null
has coordinates,has disorder
Morin, Gregory, T.; Shang, Maoyu; Smith, Bradley D.; Calcium(II) meso-2,3-diphenylsuccinate heptahydrate Calcium(II) <i>meso</i>-2,3-diphenylsuccinate heptahydrate Acta Crystallographica Section C 56(5) (2000) 544-545
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010892.cif $ #-------------------------------------------------------------------...
2,010,893
8.231
0.0016
10.655
0.002
17.042
0.003
90
null
102.26
0.03
90
null
1,460.5
0.5
293
2
293
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
[1-(Cp)-1-Ti-2-(Me)-3-(SiMe~3~)-2,3-C~2~B~4~H~4~)]~2~
- C22 H42 B8 Si2 Ti2 -
- C22 H42 B8 Si2 Ti2 -
- C44 H84 B16 Si4 Ti4 -
2
0.5
DA1105
Hosmane, Narayan S.; Zheng, Chong
The dimeric mixed-ligand titanacarborane sandwich [1-(Cp)-1-Ti-2-(Me)-3-(SiMe~3~)-2,3-C~2~B~4~H~4~]~2~
Acta Crystallographica Section C
2,000
56
5
525
527
10.1107/S0108270100001013
0.71073
MoKα
0.0583
0.0354
null
null
null
0.0889
null
null
null
null
null
1.026
null
null
has coordinates,has Fobs
Hosmane, Narayan S.; Zheng, Chong The dimeric mixed-ligand titanacarborane sandwich [1-(Cp)-1-Ti-2-(Me)-3-(SiMe~3~)-2,3-C~2~B~4~H~4~]~2~ Acta Crystallographica Section C 56(5) (2000) 525-527
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010893.cif $ #-------------------------------------------------------------------...
2,010,894
7.532
0.002
9.073
0.003
14.654
0.004
90
null
99.07
0.02
90
null
988.9
0.5
288
2
288
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Bis(3-methoxy-4-methyl-N-methylbenzohydroxamato-O,O') copper(II)
- C20 H24 Cu N2 O6 -
- C20 H24 Cu N2 O6 -
- C40 H48 Cu2 N4 O12 -
2
0.5
DA1108
Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R.
Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C
2,000
56
5
528
531
10.1107/S0108270100001025
0.71073
MoKα
0.0478
0.0345
null
0.0952
null
0.0873
null
null
1.057
null
null
1.112
null
null
has coordinates
Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R. Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II) Acta Crystallographica Section C 56(5) (2000) 528-531
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010894.cif $ #-------------------------------------------------------------------...
2,010,895
6.5953
0.0009
19.503
0.002
7.387
0.001
90
null
116.454
0.009
90
null
850.7
0.2
288
2
288
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
Bis(4-chloro-N-methylbenzohydroxamato-O,O') copper(II)
- C16 H14 Cl2 Cu N2 O4 -
- C16 H14 Cl2 Cu N2 O4 -
- C32 H28 Cl4 Cu2 N4 O8 -
2
0.5
DA1108
Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R.
Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C
2,000
56
5
528
531
10.1107/S0108270100001025
0.71073
MoKα
0.04
0.0299
null
0.0839
null
0.0755
null
null
1.101
null
null
1.117
null
null
has coordinates
Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R. Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II) Acta Crystallographica Section C 56(5) (2000) 528-531
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010895.cif $ #-------------------------------------------------------------------...
2,010,896
11.197
0.002
9.571
0.001
14.676
0.002
90
null
107.21
0.01
90
null
1,502.4
0.4
293
2
293
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
Bis(3,5-dinitro-N-methylbenzohydroxamato-O,O') copper(II): chloroform (1:1)
- C17 H13 Cl3 Cu N6 O12 -
- C18 H14 Cl6 Cu N6 O12 -
- C36 H28 Cl12 Cu2 N12 O24 -
2
0.5
DA1108
Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R.
Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C
2,000
56
5
528
531
10.1107/S0108270100001025
0.71073
MoKα
0.0845
0.0498
null
0.1325
null
0.113
null
null
1.05
null
null
1.13
null
null
has coordinates
Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R. Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II) Acta Crystallographica Section C 56(5) (2000) 528-531
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010896.cif $ #-------------------------------------------------------------------...
2,010,897
15.651
0.003
16.048
0.003
24.022
0.005
90
null
108.18
0.03
90
null
5,732
2
100
null
100
null
null
null
null
null
6
C 1 c 1
C -2yc
9
Bis(μ-3,11-diethyl-6,8-diphenyl-3,6,8,11-tetraphosphatridecane- κ^4^-P^3^,P^6^:P^8^,P^11^)dirhodium(I) bis(tetrafluoroborate)
- C50 H80 B2 F8 P8 Rh2 -
- C50 H80 B2 F8 P8 Rh2 -
- C200 H320 B8 F32 P32 Rh8 -
4
1
DA1112
Hunt Jr, Clinton; Nelson, Brent D.; Harmon, Elisa G.; Fronczek, Frank R.; Watkins, Steven F.; Billodeaux, Damon R.; Stanley, George G.
A binuclear rhodium(I) complex with two tetraphosphine ligands at 100K
Acta Crystallographica Section C
2,000
56
5
546
548
10.1107/S010827010000158X
0.71073
MoKα
0.049
0.038
null
0.095
0.089
null
null
null
1.04
1.03
1.03
null
null
null
has coordinates,has Fobs
Hunt Jr, Clinton; Nelson, Brent D.; Harmon, Elisa G.; Fronczek, Frank R.; Watkins, Steven F.; Billodeaux, Damon R.; Stanley, George G. A binuclear rhodium(I) complex with two tetraphosphine ligands at 100K Acta Crystallographica Section C 56(5) (2000) 546-548
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010897.cif $ #-------------------------------------------------------------------...
2,010,898
17.472
0.004
4.9237
0.001
9.956
0.002
90
null
94.08
0.03
90
null
854.3
0.3
293
null
293
null
null
null
null
null
3
C 1 2 1
C 2y
5
1,3(R):4,6(R)-di-O-benzylidene-D-mannitol
- C20 H22 O6 -
- C20 H22 O6 -
- C40 H44 O12 -
2
0.5
DA1113
Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.
1,3(<i>R</i>):4,6(<i>R</i>)-Di-<i>O</i>-benzylidene-<small>D</small>-mannitol
Acta Crystallographica Section C
2,000
56
5
582
583
10.1107/S0108270100001591
1.54184
CuKα
0.034
0.033
null
null
null
0.093
null
null
null
null
null
0.933
null
null
has coordinates,has Fobs
Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S. 1,3(<i>R</i>):4,6(<i>R</i>)-Di-<i>O</i>-benzylidene-<small>D</small>-mannitol Acta Crystallographica Section C 56(5) (2000) 582-583
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010898.cif $ #-------------------------------------------------------------------...
2,010,899
5.902
0.001
8.628
0.002
12.949
0.002
95.02
0.01
93.34
0.01
102.45
0.01
639.4
0.2
289
2
289
2
null
null
null
null
4
P -1
-P 1
2
2,2,5,5,8,8-hexamethyl-4,5,7,8-tetrahydroimidazo[1,2-a]pyrazine- -3,6-dione
- C12 H19 N3 O2 -
- C12 H19 N3 O2 -
- C24 H38 N6 O4 -
2
1
DA1114
Basiuk, Vladimir A.; Van Meervelt, Luc; Soloshonok, Vadim A.; Basiuk, Elena V.
2,2,5,5,8,8-Hexamethyl-2,3,5,6,7,8-hexahydroimidazo[1,2-<i>a</i>]pyrazine-3,6-dione, a bicyclic product of α-aminoisobutyric acid condensation
Acta Crystallographica Section C
2,000
56
5
598
599
10.1107/S0108270100002766
0.71073
MoKα
0.0679
0.0424
null
null
null
0.1164
null
null
null
null
null
1.013
null
null
has coordinates,has Fobs
Basiuk, Vladimir A.; Van Meervelt, Luc; Soloshonok, Vadim A.; Basiuk, Elena V. 2,2,5,5,8,8-Hexamethyl-2,3,5,6,7,8-hexahydroimidazo[1,2-<i>a</i>]pyrazine-3,6-dione, a bicyclic product of α-aminoisobutyric acid condensation Acta Crystallographica Section C 56(5) (2000) 598-599
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010899.cif $ #-------------------------------------------------------------------...
2,010,900
13.2543
0.0009
25.7694
0.0018
3.8521
0.0002
90
null
90
null
90
null
1,315.71
0.15
293
2
293
2
null
null
null
null
3
P n m a
-P 2ac 2n
62
1,2,7,8 dibenzofluorenone
13H-dibenzo[a,i]fluoren-13-one
- C21 H12 O -
- C21 H12 O -
- C84 H48 O4 -
4
0.5
DA1115
Morris, David G.; Higgins, Sean; Ryder, Karl S.; Howie, R. Alan; Muir, Kenneth W.
13<i>H</i>-Dibenzo[<i>a</i>,<i>i</i>]fluoren-13-one
Acta Crystallographica Section C
2,000
56
5
570
571
10.1107/S0108270100001049
0.71073
MoKα
0.116
0.054
null
null
null
0.167
null
null
null
null
null
1.004
null
null
has coordinates
Morris, David G.; Higgins, Sean; Ryder, Karl S.; Howie, R. Alan; Muir, Kenneth W. 13<i>H</i>-Dibenzo[<i>a</i>,<i>i</i>]fluoren-13-one Acta Crystallographica Section C 56(5) (2000) 570-571
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010900.cif $ #-------------------------------------------------------------------...
2,010,901
8.32
0.002
11.222
0.003
12.409
0.003
115.317
0.004
107.351
0.004
92.688
0.004
979
0.4
153
2
153
2
null
null
null
null
5
P -1
-P 1
2
bis(diethoxyselenophosphinoyl) triselenide
- C8 H20 O4 P2 Se5 -
- C8 H20 O4 P2 Se5 -
- C16 H40 O8 P4 Se10 -
2
1
DA1125
Béreau, Virginie; Ibers, James A.
Bis(diethoxyselenophosphinoyl) triselenide and bis(diisopropoxyselenophosphinoyl) diselenide
Acta Crystallographica Section C
2,000
56
5
584
586
10.1107/S0108270100001608
0.71073
MoKα
0.029
0.021
null
null
null
0.054
null
null
null
null
null
0.902
null
null
has coordinates,has Fobs
Béreau, Virginie; Ibers, James A. Bis(diethoxyselenophosphinoyl) triselenide and bis(diisopropoxyselenophosphinoyl) diselenide Acta Crystallographica Section C 56(5) (2000) 584-586
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010901.cif $ #-------------------------------------------------------------------...
2,010,902
8.3796
0.001
8.5314
0.001
8.5577
0.001
98.668
0.002
111.851
0.002
93.459
0.002
556.81
0.11
153
2
153
2
null
null
null
null
5
P -1
-P 1
2
bis(diisopropoxyselenophosphinoyl) diselenide
- C12 H28 O4 P2 Se4 -
- C12 H28 O4 P2 Se4 -
- C12 H28 O4 P2 Se4 -
1
0.5
DA1125
Béreau, Virginie; Ibers, James A.
Bis(diethoxyselenophosphinoyl) triselenide and bis(diisopropoxyselenophosphinoyl) diselenide
Acta Crystallographica Section C
2,000
56
5
584
586
10.1107/S0108270100001608
0.71073
MoKα
0.029
0.026
null
null
null
0.071
null
null
null
null
null
1.33
null
null
has coordinates,has Fobs
Béreau, Virginie; Ibers, James A. Bis(diethoxyselenophosphinoyl) triselenide and bis(diisopropoxyselenophosphinoyl) diselenide Acta Crystallographica Section C 56(5) (2000) 584-586
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010902.cif $ #-------------------------------------------------------------------...
2,010,903
5.794
0.004
4.719
0.005
28.688
0.005
90
null
95.08
0.03
90
null
781.3
1
293
null
293
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
gallic acid monohydrate
3,4,5-trihydroxybenzoic acid monohydrate
- C7 H8 O6 -
- C7 H8 O6 -
- C28 H32 O24 -
4
1
DE1123
Jiang, Ren-Wang; Ming, Dong-Sheng; But, Paul P. H.; Mak, Thomas C. W.
Gallic acid monohydrate
Acta Crystallographica Section C
2,000
56
5
594
595
10.1107/S0108270100001827
0.71073
MoKα
0.083
0.042
null
0.112
null
0.127
null
null
null
null
null
1.006
null
null
has coordinates,has Fobs
Jiang, Ren-Wang; Ming, Dong-Sheng; But, Paul P. H.; Mak, Thomas C. W. Gallic acid monohydrate Acta Crystallographica Section C 56(5) (2000) 594-595
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010903.cif $ #-------------------------------------------------------------------...
2,010,904
6.802
0.0011
6.066
0.002
7.804
0.0013
90
null
112.61
0.011
90
null
297.25
0.12
125
null
125
null
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
picolinic acid N-oxide
2-carboxypyridine-N-oxide'
- C6 H5 N O3 -
- C6 H5 N O3 -
- C12 H10 N2 O6 -
2
0.5
DE1129
Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan
Strong intramolecular O—H···O hydrogen bonds in quinaldic acid <i>N</i>-oxide and picolinic acid <i>N</i>-oxide
Acta Crystallographica Section C
2,000
56
5
577
579
10.1107/S0108270100001475
0.71073
MoKα
0.0405
0.0344
null
null
null
0.0955
null
null
null
null
null
1.117
null
null
has coordinates,has Fobs
Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan Strong intramolecular O—H···O hydrogen bonds in quinaldic acid <i>N</i>-oxide and picolinic acid <i>N</i>-oxide Acta Crystallographica Section C 56(5) (2000) 577-579
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010904.cif $ #-------------------------------------------------------------------...
2,010,905
3.821
0.003
16.2406
0.001
13.062
0.003
90
null
91.01
0.01
90
null
810.4
0.7
125
null
125
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
quinaldic acid N-oxide
2-carboxyquinoline-N-oxide
- C10 H7 N O3 -
- C10 H7 N O3 -
- C40 H28 N4 O12 -
4
1
DE1129
Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan
Strong intramolecular O—H···O hydrogen bonds in quinaldic acid <i>N</i>-oxide and picolinic acid <i>N</i>-oxide
Acta Crystallographica Section C
2,000
56
5
577
579
10.1107/S0108270100001475
0.71073
MoKα
0.063
0.0439
null
null
null
0.1148
null
null
null
null
null
1.089
null
null
has coordinates
Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan Strong intramolecular O—H···O hydrogen bonds in quinaldic acid <i>N</i>-oxide and picolinic acid <i>N</i>-oxide Acta Crystallographica Section C 56(5) (2000) 577-579
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010905.cif $ #-------------------------------------------------------------------...
2,010,906
14.518
0.009
13.701
0.007
23.924
0.004
90
null
106.59
0.04
90
null
4,561
4
100
2
100
2
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C25 H38 N Ti -
- C25 H38 N Ti -
- C200 H304 N8 Ti8 -
8
1
FG1577
Ellis, Dianne D.; Spek, Anthony L.
[η^5^,σ-3,3-Dimethyl-1-(2,3,4,5-tetramethylcyclopentadienyl)but-1-en-2-amino](η^5^-pentamethylcyclopentadienyl)titanium
Acta Crystallographica Section C
2,000
56
5
558
559
10.1107/S0108270100002158
0.71073
MoKα
0.0995
0.0555
null
null
null
0.1616
null
null
null
null
null
1.066
null
null
has coordinates,has Fobs
Ellis, Dianne D.; Spek, Anthony L. [η^5^,σ-3,3-Dimethyl-1-(2,3,4,5-tetramethylcyclopentadienyl)but-1-en-2-amino](η^5^-pentamethylcyclopentadienyl)titanium Acta Crystallographica Section C 56(5) (2000) 558-559
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010906.cif $ #-------------------------------------------------------------------...
2,010,907
16.9096
0.0017
18.351
0.002
8.35
0.002
90
null
90
null
90
null
2,591.1
0.7
100
2
100
2
null
null
null
null
3
P c c n
-P 2ab 2ac
56
- C28 H40 O8 -
- C28 H40 O8 -
- C112 H160 O32 -
4
0.5
FG1578
Ellis, Dianne D.; Spek, Anthony L.
1,3:16,18-Bis(xylyl)-30-crown-8
Acta Crystallographica Section C
2,000
56
5
596
597
10.1107/S010827010000250X
0.71073
MoKα(Zr-filtered)
0.0584
0.0429
null
null
null
0.1093
null
null
null
null
null
1.025
null
null
has coordinates,has Fobs
Ellis, Dianne D.; Spek, Anthony L. 1,3:16,18-Bis(xylyl)-30-crown-8 Acta Crystallographica Section C 56(5) (2000) 596-597
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010907.cif $ #-------------------------------------------------------------------...
2,010,908
11.327
0.001
7.054
0.001
12.381
0.001
90
null
90
null
90
null
989.25
0.18
293
2
293
2
null
null
null
null
5
P n m a
-P 2ac 2n
62
selenitotetrammine cobaltate(III) nitrate, monohydrate
- Co H14 N5 O7 Se -
- Co H14 N5 O7 Se -
- Co4 H56 N20 O28 Se4 -
4
0.5
FR1235
Emara, A. A. A.; Krause Bauer, Jeanette A.; Galal, A.
Tetraammine(selenito-<i>O</i>,<i>O</i>')cobaltate(III) nitrate monohydrate
Acta Crystallographica Section C
2,000
56
5
515
517
10.1107/S010827010000127X
0.71073
MoKα
0.0369
0.0295
null
null
null
0.0645
null
null
null
null
null
1.121
null
null
has coordinates,has Fobs
Emara, A. A. A.; Krause Bauer, Jeanette A.; Galal, A. Tetraammine(selenito-<i>O</i>,<i>O</i>')cobaltate(III) nitrate monohydrate Acta Crystallographica Section C 56(5) (2000) 515-517
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010908.cif $ #-------------------------------------------------------------------...
2,010,909
23.12
0.02
12.566
0.009
19.142
0.01
90
null
93.32
0.07
90
null
5,552
7
220
2
220
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
(Z)-N-(Bromomagnesio)-1-(2-naphthylmethoxy)propan-2-imine
- C58 H76 Br2 Mg2 N2 O6 -
- C58 H76 Br2 Mg2 N2 O6 -
- C232 H304 Br8 Mg8 N8 O24 -
4
0.5
FR1246
Charette, André B.; Gagnon, Alexandre; Bélanger-Gariépy, Francine
(<i>Z</i>)-Bis{μ-[1-(2-naphthylmethyloxy)propan-2-iminato-<i>O</i>,<i>N</i>:<i>N</i>]}bis[bromobis(tetrahydrofuran-<i>O</i>)magnesium] ditoluene solvate
Acta Crystallographica Section C
2,000
56
5
538
540
10.1107/S0108270100001281
1.54056
CuKα
0.1056
0.043
null
0.0891
null
0.0765
null
null
0.777
null
null
0.981
null
null
has coordinates,has disorder,has Fobs
Charette, André B.; Gagnon, Alexandre; Bélanger-Gariépy, Francine (<i>Z</i>)-Bis{μ-[1-(2-naphthylmethyloxy)propan-2-iminato-<i>O</i>,<i>N</i>:<i>N</i>]}bis[bromobis(tetrahydrofuran-<i>O</i>)magnesium] ditoluene solvate Acta Crystallographica Section C 56(5) (2000) 538-540
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010909.cif $ #-------------------------------------------------------------------...
2,010,910
10.5873
0.0004
17.583
0.0007
18.0564
0.0007
90
null
93.303
0.001
90
null
3,355.7
0.2
173
2
173
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C34 H46 Fe P2 Pd S2 -
- C34 H46 Fe P2 Pd S2 -
- C136 H184 Fe4 P8 Pd4 S8 -
4
1
FR1253
Ilia A. Guzei; Letladi L. Maisela; James Darkwa
[Ferrocene-1,1'-diylbis(diisopropylphosphine-<i>P</i>)]bis(phenylthio)palladium(II)
Acta Crystallographica Section C
2,000
56
5
564
565
10.1107/S0108270100000172
0.71073
MoKα
0.0448
0.028
null
null
null
0.0519
null
null
null
null
null
1.04
null
null
has coordinates,has Fobs
Ilia A. Guzei; Letladi L. Maisela; James Darkwa [Ferrocene-1,1'-diylbis(diisopropylphosphine-<i>P</i>)]bis(phenylthio)palladium(II) Acta Crystallographica Section C 56(5) (2000) 564-565
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010910.cif $ #-------------------------------------------------------------------...
2,010,911
6.2605
0.0007
12.0422
0.0008
18.193
0.002
105.689
0.007
95.477
0.009
95.672
0.007
1,303.3
0.2
293
2
null
null
null
null
null
null
4
P -1
-P 1
2
- C14 H21 N O -
- C14 H21 N O -
- C56 H84 N4 O4 -
4
2
FR1259
Luck, Rudy L.; Mendenhall, G. David
2,4,4-Trimethyl-2-phenyl-3-pentanone oxime
Acta Crystallographica Section C
2,000
56
5
602
603
10.1107/S0108270100002754
0.71069
MoKα
null
0.038
null
null
null
0.105
null
null
null
null
null
1.014
null
null
has coordinates,has Fobs
Luck, Rudy L.; Mendenhall, G. David 2,4,4-Trimethyl-2-phenyl-3-pentanone oxime Acta Crystallographica Section C 56(5) (2000) 602-603
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010911.cif $ #-------------------------------------------------------------------...
2,010,912
5.9384
0.0004
12.3808
0.0009
17.2097
0.0014
90
null
90
null
90
null
1,265.29
0.16
294
1
294
1
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
(2S)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid
- C13 H15 N O3 -
- C13 H15 N O3 -
- C52 H60 N4 O12 -
4
1
GD1085
Gallagher, John F.; Brady, Fiona
O—H···O, C—H···O and C—H···π~arene~ intermolecular interactions in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid and (2<i>S</i>)-3-methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)butanoic acid
Acta Crystallographica Section C
2,000
56
5
619
622
10.1107/S0108270100003553
0.7107
MoKα
0.047
0.029
null
null
null
0.076
null
null
null
null
null
1.02
null
null
has coordinates,has disorder,has Fobs
Gallagher, John F.; Brady, Fiona O—H···O, C—H···O and C—H···π~arene~ intermolecular interactions in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid and (2<i>S</i>)-3-methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)butanoic acid Acta Crystallographica Section C 56(5) (2000) 619-622
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010912.cif $ #-------------------------------------------------------------------...
2,010,913
5.8767
0.0006
9.9036
0.0013
10.4818
0.0015
103.332
0.013
99.759
0.011
89.792
0.011
584.62
0.13
294
1
294
1
null
null
null
null
4
P 1
P 1
1
(2S)-3-methyl-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)butanoic acid
- C13 H15 N O3 -
- C13 H15 N O3 -
- C26 H30 N2 O6 -
2
2
GD1085
Gallagher, John F.; Brady, Fiona
O—H···O, C—H···O and C—H···π~arene~ intermolecular interactions in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid and (2<i>S</i>)-3-methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)butanoic acid
Acta Crystallographica Section C
2,000
56
5
619
622
10.1107/S0108270100003553
0.7107
MoKα
0.06
0.048
null
null
null
0.112
null
null
null
null
null
1.016
null
null
has coordinates,has Fobs
Gallagher, John F.; Brady, Fiona O—H···O, C—H···O and C—H···π~arene~ intermolecular interactions in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid and (2<i>S</i>)-3-methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)butanoic acid Acta Crystallographica Section C 56(5) (2000) 619-622
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010913.cif $ #-------------------------------------------------------------------...
2,010,914
9.101
0.001
6.073
0.001
10.312
0.001
90
null
106.28
0.01
90
null
547.09
0.12
294
null
294
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
N-méthyl succinimide
- C5 H7 N O2 -
- C5 H7 N O2 -
- C20 H28 N4 O8 -
4
1
GS1047
Tenon, J.A.; Carles, M.; Aycard, J.P.
<i>N</i>-Méthyl succinimide
Acta Crystallographica Section C
2,000
56
5
568
569
10.1107/S0108270199016170
0.71073
Mo-Kα
0.068
0.042
null
null
null
0.053
null
null
null
null
null
1.869
null
null
has coordinates,has Fobs
Tenon, J.A.; Carles, M.; Aycard, J.P. <i>N</i>-Méthyl succinimide Acta Crystallographica Section C 56(5) (2000) 568-569
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010914.cif $ #-------------------------------------------------------------------...
2,010,915
7.2516
0.0007
10.723
0.003
12.142
0.006
90
null
115.8
0.01
90
null
850
0.5
293
2
293
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Tétradihydrogénophosphate de cobalt et de sodium tétrahydrate
- Co H16 Na2 O20 P4 -
- Co H16 Na2 O20 P4 -
- Co2 H32 Na4 O40 P8 -
2
0.5
GS1053
Guesmi, Abderrahmen; Zid, Mohamed Faouzi; Driss, Ahmed
Na~2~Co(H~2~PO~4~)~4~·4H~2~O
Acta Crystallographica Section C
2,000
56
5
511
512
10.1107/S0108270199015279
0.71069
MoKα
0.021
0.02
null
0.057
null
0.056
null
null
1.171
null
null
1.186
null
null
has coordinates
Guesmi, Abderrahmen; Zid, Mohamed Faouzi; Driss, Ahmed Na~2~Co(H~2~PO~4~)~4~·4H~2~O Acta Crystallographica Section C 56(5) (2000) 511-512
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010915.cif $ #-------------------------------------------------------------------...
2,010,916
9.323
0.005
18.038
0.005
10.968
0.005
90
null
106.57
0.005
90
null
1,767.9
1.3
293
2
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
methyl (1S,2S,3R,4R)-2-benzamido-3-(1,2-dihydroxyethyl)bicyclo [2.2.1]heptane-2-carboxylate
- C18 H23 N O5 -
- C18 H23 N O5 -
- C72 H92 N4 O20 -
4
2
JZ1375
Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.
Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton
Acta Crystallographica Section C
2,000
56
5
587
591
10.1107/S0108270100001645
0.71073
MoKα
null
0.04
null
null
null
0.093
null
null
null
null
null
1.053
null
null
has coordinates,has Fobs
Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A. Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton Acta Crystallographica Section C 56(5) (2000) 587-591
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010916.cif $ #-------------------------------------------------------------------...
2,010,917
7.187
0.005
11.72
0.005
20.258
0.005
90
null
90
null
90
null
1,706.4
1.5
293
2
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
methyl (1R,2S,3R,4S)-2-benzamido-3-(1,2-dihydroxyethyl)bicyclo[2.2.1]heptane-2- carboxylate
- C18 H23 N O5 -
- C18 H23 N O5 -
- C72 H92 N4 O20 -
4
1
JZ1375
Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.
Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton
Acta Crystallographica Section C
2,000
56
5
587
591
10.1107/S0108270100001645
0.71073
MoKα
null
0.029
null
null
null
0.07
null
null
null
null
null
1.058
null
null
has coordinates,has Fobs
Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A. Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton Acta Crystallographica Section C 56(5) (2000) 587-591
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010917.cif $ #-------------------------------------------------------------------...
2,010,918
7.499
0.001
9.114
0.002
16.717
0.002
86.06
0.02
88.61
0.01
76.73
0.02
1,109.4
0.3
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
5-nitro-2-thiofuranilide
N-phenyl-5-nitro-2-thiofuramide
- C11 H8 N2 O3 S -
- C11 H8 N2 O3 S -
- C44 H32 N8 O12 S4 -
4
2
JZ1378
Pavlović, Gordana; Mance, Ana Dunja; Jakopčić, Krešimir
5-Nitro-<i>N</i>-phenyl-2-thiofuramide
Acta Crystallographica Section C
2,000
56
5
604
606
10.1107/S0108270100002882
0.71073
MoKα
0.0947
0.0452
null
null
null
0.1304
null
null
null
null
null
0.958
null
null
has coordinates,has Fobs
Pavlović, Gordana; Mance, Ana Dunja; Jakopčić, Krešimir 5-Nitro-<i>N</i>-phenyl-2-thiofuramide Acta Crystallographica Section C 56(5) (2000) 604-606
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010918.cif $ #-------------------------------------------------------------------...
2,010,919
7.1766
0.0001
7.8911
0.0001
13.7036
0.0001
90
null
90
null
90
null
776.052
0.016
173
2
173
2
null
null
null
null
5
P m n a
-P 2ac 2
53
- C12 H14 Cl4 N2 Si -
- C12 H14 Cl4 N2 Si -
- C24 H28 Cl8 N4 Si2 -
2
0.25
LN1098
Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael
Complexes of mixed silicon halides with 4-picoline
Acta Crystallographica Section C
2,000
56
5
610
613
10.1107/S010827010000278X
0.71073
MoKα
0.0216
0.0202
null
null
null
0.0579
null
null
null
null
null
1.148
null
null
has coordinates,has disorder,has Fobs
Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael Complexes of mixed silicon halides with 4-picoline Acta Crystallographica Section C 56(5) (2000) 610-613
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010919.cif $ #-------------------------------------------------------------------...
2,010,920
7.177
0.001
7.962
0.001
13.557
0.001
90
null
90
null
90
null
774.69
0.16
173
2
173
2
null
null
null
null
6
P m n a
-P 2ac 2
53
- C12 H14 Br Cl3 N2 Si -
- C12 H14 Br Cl3 N2 Si -
- C24 H28 Br2 Cl6 N4 Si2 -
2
0.25
LN1098
Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael
Complexes of mixed silicon halides with 4-picoline
Acta Crystallographica Section C
2,000
56
5
610
613
10.1107/S010827010000278X
0.71073
MoKα
0.0542
0.0402
null
null
null
0.1114
null
null
null
null
null
1.123
null
null
has coordinates,has disorder,has Fobs
Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael Complexes of mixed silicon halides with 4-picoline Acta Crystallographica Section C 56(5) (2000) 610-613
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010920.cif $ #-------------------------------------------------------------------...
2,010,921
7.252
0.002
8.12
0.002
13.54
0.003
90
null
90
null
90
null
797.3
0.3
173
2
173
2
null
null
null
null
6
P m n a
-P 2ac 2
53
- C12 H14 Br2 Cl2 N2 Si -
- C12 H14 Br2 Cl2 N2 Si -
- C24 H28 Br4 Cl4 N4 Si2 -
2
0.25
LN1098
Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael
Complexes of mixed silicon halides with 4-picoline
Acta Crystallographica Section C
2,000
56
5
610
613
10.1107/S010827010000278X
0.71073
MoKα
0.0352
0.0272
null
null
null
0.0634
null
null
null
null
null
1.119
null
null
has coordinates,has disorder,has Fobs
Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael Complexes of mixed silicon halides with 4-picoline Acta Crystallographica Section C 56(5) (2000) 610-613
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010921.cif $ #-------------------------------------------------------------------...
2,010,922
7.296
0.001
8.211
0.001
13.472
0.001
90
null
90
null
90
null
807.07
0.16
173
2
173
2
null
null
null
null
6
P m n a
-P 2ac 2
53
- C12 H14 Br3 Cl N2 Si -
- C12 H14 Br3 Cl N2 Si -
- C24 H28 Br6 Cl2 N4 Si2 -
2
0.25
LN1098
Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael
Complexes of mixed silicon halides with 4-picoline
Acta Crystallographica Section C
2,000
56
5
610
613
10.1107/S010827010000278X
0.71073
MoKα
0.0343
0.0235
null
null
null
0.0521
null
null
null
null
null
1.161
null
null
has coordinates,has disorder,has Fobs
Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael Complexes of mixed silicon halides with 4-picoline Acta Crystallographica Section C 56(5) (2000) 610-613
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010922.cif $ #-------------------------------------------------------------------...
2,010,923
7.3298
0.0002
8.2819
0.0003
13.4126
0.0003
90
null
90
null
90
null
814.21
0.04
143
2
143
2
null
null
null
null
5
P m n a
-P 2ac 2
53
- C12 H14 Br4 N2 Si -
- C12 H14 Br4 N2 Si -
- C24 H28 Br8 N4 Si2 -
2
0.25
LN1098
Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael
Complexes of mixed silicon halides with 4-picoline
Acta Crystallographica Section C
2,000
56
5
610
613
10.1107/S010827010000278X
0.71073
MoKα
0.0405
0.0277
null
null
null
0.0653
null
null
null
null
null
1.041
null
null
has coordinates,has disorder,has Fobs
Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael Complexes of mixed silicon halides with 4-picoline Acta Crystallographica Section C 56(5) (2000) 610-613
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010923.cif $ #-------------------------------------------------------------------...
2,010,924
16.241
0.002
16.241
0.002
15.21
0.003
90
null
90
null
90
null
4,011.9
1.1
173
2
173
2
null
null
null
null
6
I 4/m
-I 4
87
- C25 H29 Cl5 I6 N4 Si -
- C25 H29 Cl5 I6 N4 Si -
- C100 H116 Cl20 I24 N16 Si4 -
4
0.25
LN1099
Hensen, Karl; Mayr-Stein, Ralf; Rühl, Stephan; Bolte, Michael
<i>trans</i>-Dichlorotetrakis(4-methylpyridine)silicon bis(triiodide) chloroform solvate
Acta Crystallographica Section C
2,000
56
5
614
615
10.1107/S0108270100002791
0.71073
MoKα
0.0549
0.0412
null
null
null
0.0962
null
null
null
null
null
1.047
null
null
has coordinates,has Fobs
Hensen, Karl; Mayr-Stein, Ralf; Rühl, Stephan; Bolte, Michael <i>trans</i>-Dichlorotetrakis(4-methylpyridine)silicon bis(triiodide) chloroform solvate Acta Crystallographica Section C 56(5) (2000) 614-615
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010924.cif $ #-------------------------------------------------------------------...
2,010,925
22.934
0.005
13.481
0.003
24.904
0.005
90
null
115.65
0.03
90
null
6,941
3
293
2
293
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
Tris(2,2'-bipyridyl)nickel(II) thiosulfate heptahydrate
- C30 H38 N6 Ni O10 S2 -
- C30 H32 N6 Ni O10.007 S2 -
- C240 H256 N48 Ni8 O80.056 S16 -
8
1
NA1452
Eleonora Freire; Sergio Baggio; Alvaro Mombru; Ricardo Baggio
Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')nickel(II) thiosulfate heptahydrate
Acta Crystallographica Section C
2,000
56
5
541
543
10.1107/S0108270100001414
0.71073
MoKα
0.112
0.059
null
null
null
0.209
null
null
null
null
null
1.061
null
null
has coordinates,has Fobs
Eleonora Freire; Sergio Baggio; Alvaro Mombru; Ricardo Baggio Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')nickel(II) thiosulfate heptahydrate Acta Crystallographica Section C 56(5) (2000) 541-543
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010925.cif $ #-------------------------------------------------------------------...
2,010,926
7.471
0.001
13.988
0.001
15.739
0.002
90
null
90
null
90
null
1,644.8
0.3
293
2
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
2',3'-didehydro-2',3'-O-dideoxythymidine (D4T) 1-methylpyrrolidone (NMPO) solvate
1-(2',3'-dideoxy-β-D-glycero-pent-2-enofuranosyl)thimine 1-methylpyrrolidone
- C15 H21 N3 O5 -
- C15 H21 N3 O5 -
- C60 H84 N12 O20 -
4
1
NA1454
Viterbo, Davide; Milanesio, Marco; Pomés Hernández, Ramón; Rodríguez Tanty, Chryslaine; Colás González, Ivan; Sablón Carrazana, Marquiza; Duque Rodríguez, Julio
2',3'-Didehydro-3'-deoxythymidine <i>N</i>-methyl-2-pyrrolidone solvate (D4T·NMPO)
Acta Crystallographica Section C
2,000
56
5
580
581
10.1107/S0108270100001451
0.71069
MoKα
0.0992
0.0584
null
null
null
0.1553
null
null
null
null
null
0.998
null
null
has coordinates
Viterbo, Davide; Milanesio, Marco; Pomés Hernández, Ramón; Rodríguez Tanty, Chryslaine; Colás González, Ivan; Sablón Carrazana, Marquiza; Duque Rodríguez, Julio 2',3'-Didehydro-3'-deoxythymidine <i>N</i>-methyl-2-pyrrolidone solvate (D4T·NMPO) Acta Crystallographica Section C 56(5) (2000) 580-581
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010926.cif $ #-------------------------------------------------------------------...
2,010,927
6.894
0.001
10.675
0.001
11.878
0.002
73.19
0.01
79.75
0.01
84.91
0.01
822.8
0.2
203
2
203
2
null
null
null
null
6
P -1
-P 1
2
Bis(vanillin thiosemicarbazonato)nickel(II) ethanol solvate
- C26 H44 N6 Ni O8 S2 -
- C26 H44 N6 Ni O8 S2 -
- C26 H44 N6 Ni O8 S2 -
1
0.5
OS1098
Akinchan, Narayan T.; Abram, Ulrich
Bis(4-hydroxy-3-methoxybenzaldehyde thiosemicarbazonato-<i>N</i>^1^,<i>S</i>)nickel(II) tetraethanol solvate
Acta Crystallographica Section C
2,000
56
5
549
550
10.1107/S0108270100001657
1.54184
CuKα
0.0531
0.0521
null
null
null
0.1515
null
null
null
null
null
1.086
null
null
has coordinates,has Fobs
Akinchan, Narayan T.; Abram, Ulrich Bis(4-hydroxy-3-methoxybenzaldehyde thiosemicarbazonato-<i>N</i>^1^,<i>S</i>)nickel(II) tetraethanol solvate Acta Crystallographica Section C 56(5) (2000) 549-550
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010927.cif $ #-------------------------------------------------------------------...
2,010,928
9.6424
0.0009
14.861
0.002
17.021
0.002
107.604
0.003
101.474
0.002
106.528
0.002
2,117.6
0.4
120
null
120
null
null
null
null
null
6
P -1
-P 1
2
- C24 H54 Fe2 N24 Ni3 O3 -
- C24 H54 Fe2 N24 Ni3 O3 -
- C48 H108 Fe4 N48 Ni6 O6 -
2
1
OS1101
Jakob Østerberg Eriksen; Alan Hazell; Astrid Jensen; Josua Jepsen; Rasmus Damgaard Poulsen
Bimetallic assemblies, [Ni(en)~2~]~3~[<i>M</i>(CN)~6~]~2~·3H~2~O (en = H~2~NCH~2~CH~2~NH~2~; <i>M</i> = Fe, Co)
Acta Crystallographica Section C
2,000
56
5
551
553
10.1107/S0108270100001670
0.71073
MoKα
null
0.024
null
null
null
0.033
null
null
null
null
null
1.139
null
null
has coordinates
Jakob Østerberg Eriksen; Alan Hazell; Astrid Jensen; Josua Jepsen; Rasmus Damgaard Poulsen Bimetallic assemblies, [Ni(en)~2~]~3~[<i>M</i>(CN)~6~]~2~·3H~2~O (en = H~2~NCH~2~CH~2~NH~2~; <i>M</i> = Fe, Co) Acta Crystallographica Section C 56(5) (2000) 551-553
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010928.cif $ #-------------------------------------------------------------------...
2,010,929
9.6303
0.0008
14.787
0.001
16.951
0.001
107.5
0.002
101.464
0.002
106.652
0.002
2,095.6
0.3
120
null
120
null
null
null
null
null
6
P -1
-P 1
2
- C24 H54 Co2 N24 Ni3 O3 -
- C24 H54 Co2 N24 Ni3 O3 -
- C48 H108 Co4 N48 Ni6 O6 -
2
1
OS1101
Jakob Østerberg Eriksen; Alan Hazell; Astrid Jensen; Josua Jepsen; Rasmus Damgaard Poulsen
Bimetallic assemblies, [Ni(en)~2~]~3~[<i>M</i>(CN)~6~]~2~·3H~2~O (en = H~2~NCH~2~CH~2~NH~2~; <i>M</i> = Fe, Co)
Acta Crystallographica Section C
2,000
56
5
551
553
10.1107/S0108270100001670
0.71073
MoKα
null
0.028
null
null
null
0.04
null
null
null
null
null
1.385
null
null
has coordinates
Jakob Østerberg Eriksen; Alan Hazell; Astrid Jensen; Josua Jepsen; Rasmus Damgaard Poulsen Bimetallic assemblies, [Ni(en)~2~]~3~[<i>M</i>(CN)~6~]~2~·3H~2~O (en = H~2~NCH~2~CH~2~NH~2~; <i>M</i> = Fe, Co) Acta Crystallographica Section C 56(5) (2000) 551-553
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010929.cif $ #-------------------------------------------------------------------...
2,010,930
13.4892
0.0003
6.8637
0.0001
10.6908
0.0001
90
null
90
null
90
null
989.82
0.03
297
2
297
2
null
null
null
null
4
P n a 21
P 2c -2n
33
CTA
- As Cs O5 Ti -
- As Cs O5 Ti -
- As8 Cs8 O40 Ti8 -
8
2
OS1106
Nordborg, Jenni
Alkaline positions in CsTiOAsO~4~
Acta Crystallographica Section C
2,000
56
5
518
520
10.1107/S010827010000130X
0.71073
MoKα
0.082
0.038
null
0.031
null
0.026
null
null
1.887
null
null
1.993
null
null
has coordinates,has Fobs
Nordborg, Jenni Alkaline positions in CsTiOAsO~4~ Acta Crystallographica Section C 56(5) (2000) 518-520
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010930.cif $ #-------------------------------------------------------------------...
2,010,931
13.4892
0.0003
6.8637
0.0001
10.6908
0.0001
90
null
90
null
90
null
989.82
0.03
297
2
197
2
null
null
null
null
4
P n a 21
P 2c -2n
33
CTA
- As Cs O5 Ti -
- As Cs O5 Ti -
- As8 Cs8 O40 Ti8 -
8
2
OS1106
Nordborg, Jenni
Alkaline positions in CsTiOAsO~4~
Acta Crystallographica Section C
2,000
56
5
518
520
10.1107/S010827010000130X
0.71073
MoKα
0.078
0.034
null
0.029
null
0.023
null
null
1.729
null
null
1.763
null
null
has coordinates,has Fobs
Nordborg, Jenni Alkaline positions in CsTiOAsO~4~ Acta Crystallographica Section C 56(5) (2000) 518-520
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010931.cif $ #-------------------------------------------------------------------...
2,010,932
13.4623
0.0001
6.8484
0.0001
10.7075
0.0001
90
null
90
null
90
null
987.18
0.019
183
1
183
1
null
null
null
null
4
P n a 21
P 2c -2n
33
CTA
- As Cs O5 Ti -
- As Cs O5 Ti -
- As8 Cs8 O40 Ti8 -
8
2
OS1106
Nordborg, Jenni
Alkaline positions in CsTiOAsO~4~
Acta Crystallographica Section C
2,000
56
5
518
520
10.1107/S010827010000130X
0.71073
MoKα
0.096
0.043
null
0.037
null
0.03
null
null
1.879
null
null
1.996
null
null
has coordinates,has Fobs
Nordborg, Jenni Alkaline positions in CsTiOAsO~4~ Acta Crystallographica Section C 56(5) (2000) 518-520
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010932.cif $ #-------------------------------------------------------------------...
2,010,933
11.384
0.001
10.202
0.001
14.942
0.002
90
null
146.816
0.006
90
null
949.8
0.2
298
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C10 H9 N O2 S -
- C10 H9 N O2 S -
- C40 H36 N4 O8 S4 -
4
1
QA0206
Keita, A.; Ahabchane, N.; Essassi, E. M.; Pierrot, M.
2-Acetyl-4<i>H</i>-benzothiazin-3(2<i>H</i>)-one
Acta Crystallographica Section C
2,000
56
5
e227
e227
10.1107/S0108270100005692
0.71073
MoKα
0.035
0.032
null
0.045
null
0.045
null
null
1.178
null
null
1.21
null
null
has coordinates,has Fobs
Keita, A.; Ahabchane, N.; Essassi, E. M.; Pierrot, M. 2-Acetyl-4<i>H</i>-benzothiazin-3(2<i>H</i>)-one Acta Crystallographica Section C 56(5) (2000) e227-e227
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010933.cif $ #-------------------------------------------------------------------...
2,010,934
6.7152
0.0003
10.1507
0.0005
15.5447
0.0009
90
null
90
null
90
null
1,059.59
0.09
123
2
123
2
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
2-Azacyclopentylidene(pentacarbonyl)chromium(0)
- C9 H7 Cr N O5 -
- C9 H7 Cr N O5 -
- C36 H28 Cr4 N4 O20 -
4
1
QA0221
Nieger, Martin; Haase, Wilm-Christian; Dötz, Karl Heinz
An N-unprotected Fischer pyrrolidinylidene complex
Acta Crystallographica Section C
2,000
56
5
e174
e175
10.1107/S0108270100004479
0.71073
MoKα
0.029
0.024
null
null
null
0.057
null
null
null
null
null
1.017
null
null
has coordinates,has Fobs
Nieger, Martin; Haase, Wilm-Christian; Dötz, Karl Heinz An N-unprotected Fischer pyrrolidinylidene complex Acta Crystallographica Section C 56(5) (2000) e174-e175
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010934.cif $ #-------------------------------------------------------------------...
2,010,935
11.2427
0.0002
13.3736
0.0002
12.4932
0.0002
90
null
108.109
0.001
90
null
1,785.38
0.05
293
2
293
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
μ-oxo-bis-{oxo[N,N'-2,2-dimethylpropane-1,3- diylbis(salicylideneiminato)]rhenium (V)}
- C38 H40 N4 O7 Re2 -
- C38 H40 N4 O7 Re2 -
- C76 H80 N8 O14 Re4 -
2
0.5
QA0249
Huang, Wen-Tao; Lo, Jem-Mau; Yao, Hsueh-Hua; Liao, Fen-Ling
μ-Oxo-bis{{2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}oxorhenium(V)}
Acta Crystallographica Section C
2,000
56
5
e172
e173
10.1107/S0108270100004455
0.71073
MoKα
0.058
0.038
null
null
null
0.084
null
null
null
null
null
1.013
null
null
has coordinates
Huang, Wen-Tao; Lo, Jem-Mau; Yao, Hsueh-Hua; Liao, Fen-Ling μ-Oxo-bis{{2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}oxorhenium(V)} Acta Crystallographica Section C 56(5) (2000) e172-e173
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010935.cif $ #-------------------------------------------------------------------...
2,010,936
10.88
0.002
16.458
0.002
21.261
0.002
90
null
90
null
90
null
3,807.1
0.9
248
1
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
61
Cyclohex-1-enecarbothioic acid benzyl-(4-methoxy-phenyl)-amide
- C21 H23 N O S -
- C21 H23 N O S -
- C168 H184 N8 O8 S8 -
8
1
QA0251
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu
<i>N</i>-Benzyl-<i>N</i>-(4-methoxyphenyl)cyclohex-1-enecarbothioamide
Acta Crystallographica Section C
2,000
56
5
e221
e221
10.1107/S0108270100004467
1.54184
CuKα
null
0.062
null
null
null
0.168
null
null
null
null
null
1.24
null
null
has coordinates,has Fobs
Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu <i>N</i>-Benzyl-<i>N</i>-(4-methoxyphenyl)cyclohex-1-enecarbothioamide Acta Crystallographica Section C 56(5) (2000) e221-e221
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010936.cif $ #-------------------------------------------------------------------...
2,010,937
13.278
0.002
11.34
0.003
15.94
0.002
90
null
101.12
0.01
90
null
2,355.1
0.8
297
1
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C28 H22 N2 O3 V -
- C28 H22 N2 O3 V -
- C112 H88 N8 O12 V4 -
4
1
QA0255
Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru
The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)
Acta Crystallographica Section C
2,000
56
5
e188
e189
10.1107/S0108270100004509
0.71073
MoKα
null
0.047
null
null
null
0.133
null
null
null
null
null
1.03
null
null
has coordinates,has Fobs
Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV) Acta Crystallographica Section C 56(5) (2000) e188-e189
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010937.cif $ #-------------------------------------------------------------------...
2,010,938
17.671
0.006
21.635
0.007
12.565
0.004
90
null
90
null
90
null
4,804
3
297
1
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C28 H22 N2 O3 V -
- C28 H22 N2 O3 V -
- C224 H176 N16 O24 V8 -
8
1
QA0255
Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru
The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)
Acta Crystallographica Section C
2,000
56
5
e188
e189
10.1107/S0108270100004509
0.71073
MoKα
null
0.055
null
null
null
0.193
null
null
null
null
null
1.04
null
null
has coordinates,has Fobs
Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV) Acta Crystallographica Section C 56(5) (2000) e188-e189
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010938.cif $ #-------------------------------------------------------------------...
2,010,939
10.124
0.004
12.672
0.003
9.632
0.002
110.83
0.02
96.36
0.03
85.32
0.03
1,146.6
0.6
298
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C28 H22 Mn N3 O2 -
- C28 H22 Mn N3 O2 -
- C56 H44 Mn2 N6 O4 -
2
1
QA0256
Iwamoto, Hirofumi; Tsuchimoto, Masanobu; Ohba, Shigeru
[1,2-Diphenyl-<i>N</i>,<i>N</i>'-bis(salicylidene)-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato]nitridomanganese(V)
Acta Crystallographica Section C
2,000
56
5
e187
e187
10.1107/S0108270100004492
0.71073
MoKα
null
0.033
null
null
null
0.09
null
null
null
null
null
1.04
null
null
has coordinates
Iwamoto, Hirofumi; Tsuchimoto, Masanobu; Ohba, Shigeru [1,2-Diphenyl-<i>N</i>,<i>N</i>'-bis(salicylidene)-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato]nitridomanganese(V) Acta Crystallographica Section C 56(5) (2000) e187-e187
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010939.cif $ #-------------------------------------------------------------------...
2,010,940
9.123
0.001
13.219
0.002
9.82
0.001
90
null
112.17
0.06
90
null
1,096.7
0.5
296
2
296
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Bis(triethanolamine)nickel(II) acetate
- C16 H36 N2 Ni O10 -
- C16 H36 N2 Ni O10 -
- C32 H72 N4 Ni2 O20 -
2
0.5
QA0257
Krabbes, Ingmar; Seichter, Wilhelm; Gloe, Karsten
Bis(triethanolamine-<i>O</i>,<i>O</i>')nickel(II) diacetate
Acta Crystallographica Section C
2,000
56
5
e178
e178
10.1107/S0108270100004819
0.71073
MoKα
0.037
0.03
null
0.082
null
0.077
null
null
0.983
null
null
0.996
null
null
has coordinates,has Fobs
Krabbes, Ingmar; Seichter, Wilhelm; Gloe, Karsten Bis(triethanolamine-<i>O</i>,<i>O</i>')nickel(II) diacetate Acta Crystallographica Section C 56(5) (2000) e178-e178
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010940.cif $ #-------------------------------------------------------------------...
2,010,941
21.957
0.004
20.518
0.002
7.522
0.001
90
null
90
null
90
null
3,388.8
0.8
293
2
293
2
null
null
null
null
3
P b c a
-P 2ac 2ab
61
N'-(4-(1,1-dimethylpropyl)-benzylidene)-2-pyridinecarboxamidrazone
- C18 H22 N4 -
- C18 H22 N4 -
- C144 H176 N32 -
8
1
QA0258
Billington, David C.; Lowe, Philip R.; Rathbone, Daniel L.; Schwalbe, Carl H.
A new amidrazone derivative with antimycobacterial activity
Acta Crystallographica Section C
2,000
56
5
e211
e212
10.1107/S0108270100004807
1.5418
CuKα
0.153
0.072
null
null
null
0.231
null
null
null
null
null
1.001
null
null
has coordinates,has disorder,has Fobs
Billington, David C.; Lowe, Philip R.; Rathbone, Daniel L.; Schwalbe, Carl H. A new amidrazone derivative with antimycobacterial activity Acta Crystallographica Section C 56(5) (2000) e211-e212
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010941.cif $ #-------------------------------------------------------------------...
2,010,942
12.812
0.011
7.185
0.007
17.835
0.015
90
null
99.61
0.07
90
null
1,619
3
298
2
298
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
2,2'-Dipyridylaminepentacarbonyltungsten(0)
- C15 H9 N3 O5 W -
- C15 H9 N3 O5 W -
- C60 H36 N12 O20 W4 -
4
1
QA0259
Creaven, Bernadette S.; Howie, R. Alan; Long, Conor
Pentacarbonyl(di-2-pyridylamine)tungsten(0)
Acta Crystallographica Section C
2,000
56
5
e181
e182
10.1107/S0108270100004728
0.71073
MoKα
0.063
0.037
null
null
null
0.082
null
null
null
null
null
1.016
null
null
has coordinates,has Fobs
Creaven, Bernadette S.; Howie, R. Alan; Long, Conor Pentacarbonyl(di-2-pyridylamine)tungsten(0) Acta Crystallographica Section C 56(5) (2000) e181-e182
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010942.cif $ #-------------------------------------------------------------------...
2,010,943
14.0672
0.0013
12.692
0.001
15.5238
0.0017
90
null
92.972
0.009
90
null
2,767.9
0.5
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C35 H26 Cl N O -
- C35 H26 Cl N O -
- C140 H104 Cl4 N4 O4 -
4
1
QA0260
Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Durlu, Tahsin Nuri
<i>N</i>-(<i>p</i>-Chlorophenyl)-3,3-diphenyl-4-(β-phenylstyryl)azetidin-2-one
Acta Crystallographica Section C
2,000
56
5
e207
e208
10.1107/S0108270100004546
0.71069
MoKα
0.117
0.048
null
null
null
0.165
null
null
null
null
null
1.031
null
null
has coordinates,has disorder,has Fobs
Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Durlu, Tahsin Nuri <i>N</i>-(<i>p</i>-Chlorophenyl)-3,3-diphenyl-4-(β-phenylstyryl)azetidin-2-one Acta Crystallographica Section C 56(5) (2000) e207-e208
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010943.cif $ #-------------------------------------------------------------------...
2,010,944
8.949
0.011
14.302
0.016
17.53
0.016
94.89
0.08
83.79
0.08
96.24
0.09
2,211
4
298
2
298
2
null
null
null
null
5
P -1
-P 1
2
p-Nitrobenzoato-triphenyl-tin
- C25 H19 N O4 Sn -
- C25 H19 N O4 Sn -
- C100 H76 N4 O16 Sn4 -
4
2
QA0261
Howie, R. Alan; Wardell, James L.; Wardell, Solange M.S.V.; Cox, Philip J.
(<i>p</i>-Nitrobenzoato)triphenyltin at 298K
Acta Crystallographica Section C
2,000
56
5
e179
e180
10.1107/S0108270100004510
0.71073
MoKα
0.07
0.038
null
null
null
0.088
null
null
null
null
null
1.019
null
null
has coordinates,has Fobs
Howie, R. Alan; Wardell, James L.; Wardell, Solange M.S.V.; Cox, Philip J. (<i>p</i>-Nitrobenzoato)triphenyltin at 298K Acta Crystallographica Section C 56(5) (2000) e179-e180
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010944.cif $ #-------------------------------------------------------------------...
2,010,945
32.529
0.004
11.877
0.005
18.909
0.007
90
null
121.01
0.01
90
null
6,261
4
297
1
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C36 H38 N2 O3 V -
- C36 H38 N2 O3 V -
- C288 H304 N16 O24 V8 -
8
1
QA0262
Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru
<i>exo</i>-[<i>N</i>,<i>N</i>'-Bis(3-<i>tert</i>-butylsalicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)
Acta Crystallographica Section C
2,000
56
5
e190
e190
10.1107/S0108270100004534
0.71073
MoKα
null
0.061
null
null
null
0.219
null
null
null
null
null
1.18
null
null
has coordinates,has Fobs
Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru <i>exo</i>-[<i>N</i>,<i>N</i>'-Bis(3-<i>tert</i>-butylsalicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV) Acta Crystallographica Section C 56(5) (2000) e190-e190
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010945.cif $ #-------------------------------------------------------------------...
2,010,946
11.172
0.001
9.337
0.001
15.634
0.001
90
null
94.1
0.01
90
null
1,626.7
0.3
173
2
173
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C19 H15 N O6 -
- C19 H15 N O6 -
- C76 H60 N4 O24 -
4
1
QA0263
Filali Baba, Bouchra; Kerbal, Abdelali; Bitit, Najib; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael
Methyl 3-<i>para</i>-anisyl-4-(2-hydroxybenzoyl)isoxazole-5-carboxylate
Acta Crystallographica Section C
2,000
56
5
e205
e206
10.1107/S0108270100004522
0.71073
MoKα
0.053
0.04
null
null
null
0.105
null
null
null
null
null
1.024
null
null
has coordinates,has Fobs
Filali Baba, Bouchra; Kerbal, Abdelali; Bitit, Najib; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael Methyl 3-<i>para</i>-anisyl-4-(2-hydroxybenzoyl)isoxazole-5-carboxylate Acta Crystallographica Section C 56(5) (2000) e205-e206
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010946.cif $ #-------------------------------------------------------------------...
2,010,947
15.408
0.001
10.256
0.001
19.402
0.001
90
null
107.91
0.01
90
null
2,917.4
0.4
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C26 H32 N4 O6 S2 -
- C26 H32 N4 O6 S2 -
- C104 H128 N16 O24 S8 -
4
1
QA0264
Camí, Gerardo; Server-Carrió, Juan; Fustero, Santos; Pedregosa, José
A novel heterocyclic sulfonamide: <i>N</i>-benzyl-5-[<i>N</i>-benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)amino]-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-1,3,4-thiadiazole-2-sulfonamide
Acta Crystallographica Section C
2,000
56
5
e209
e210
10.1107/S0108270100004741
0.7107
MoKα
0.092
0.049
null
null
null
0.156
null
null
null
null
null
1.057
null
null
has coordinates,has Fobs
Camí, Gerardo; Server-Carrió, Juan; Fustero, Santos; Pedregosa, José A novel heterocyclic sulfonamide: <i>N</i>-benzyl-5-[<i>N</i>-benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)amino]-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-1,3,4-thiadiazole-2-sulfonamide Acta Crystallographica Section C 56(5) (2000) e209-e210
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010947.cif $ #-------------------------------------------------------------------...
2,010,948
15.942
0.001
6.3738
0.0004
20.895
0.002
90
null
111.129
0.007
90
null
1,980.4
0.3
293
2
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C15 H17 Cl3 O2 S2 Sn -
- C15 H17 Cl3 O2 S2 Sn -
- C60 H68 Cl12 O8 S8 Sn4 -
4
1
QA0265
Gambardella, Maria Teresa do Prado; Francisco, Regina Helena Porto; Rodrigues, Ana Maria G. Dias; de Sousa, Gerimário Freitas
<i>catena</i>-Poly[<i>fac</i>-trichloromethyltin(IV)-μ-[<i>meso</i>-1,2-bis(phenylsulfinyl)ethane-<i>O</i>:<i>O</i>']]
Acta Crystallographica Section C
2,000
56
5
e176
e177
10.1107/S010827010000473X
0.71073
MoKα
0.068
0.031
null
null
null
0.087
null
null
null
null
null
1.054
null
null
has coordinates,has Fobs
Gambardella, Maria Teresa do Prado; Francisco, Regina Helena Porto; Rodrigues, Ana Maria G. Dias; de Sousa, Gerimário Freitas <i>catena</i>-Poly[<i>fac</i>-trichloromethyltin(IV)-μ-[<i>meso</i>-1,2-bis(phenylsulfinyl)ethane-<i>O</i>:<i>O</i>']] Acta Crystallographica Section C 56(5) (2000) e176-e177
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010948.cif $ #-------------------------------------------------------------------...
2,010,949
8.2971
0.0011
9.4297
0.0014
9.648
0.0013
68.794
0.012
67.62
0.009
67.565
0.01
624.14
0.16
180
2
180
2
null
null
null
null
3
P -1
-P 1
2
(1R^*^,2R^*^)-1,2-o-(2',3'-dimethoxybutane-2',3'-diyl)-cyclohexane
- C12 H22 O4 -
- C12 H22 O4 -
- C24 H44 O8 -
2
1
QA0268
Weinig, Hans-Georg; Koert, Ulrich; Ziemer, Burkhard
(1<i>R</i>*,2<i>R</i>*)-1,2-(2,3-Dimethoxybutane-2,3-dioxy)cyclohexane
Acta Crystallographica Section C
2,000
56
5
e218
e218
10.1107/S0108270100005485
0.71073
MoKα
0.045
0.039
null
null
null
0.112
null
null
null
null
null
1.07
null
null
has coordinates,has Fobs
Weinig, Hans-Georg; Koert, Ulrich; Ziemer, Burkhard (1<i>R</i>*,2<i>R</i>*)-1,2-(2,3-Dimethoxybutane-2,3-dioxy)cyclohexane Acta Crystallographica Section C 56(5) (2000) e218-e218
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010949.cif $ #-------------------------------------------------------------------...
2,010,950
10.661
0.002
11.852
0.002
13.501
0.003
76.85
0.03
81.35
0.03
72.12
0.03
1,575
0.6
150
2
null
null
null
null
null
null
5
P -1
-P 1
2
- C14 H20 N2 O4 S -
- C14 H20 N2 O4 S -
- C56 H80 N8 O16 S4 -
4
2
QA0270
Coles, Simon J.; Douheret, David; Hursthouse, Michael B.; Kilburn, Jeremy D.; Rossi, Sara
<i>tert</i>-Butyl 2-[2-(ethoxycarbothioylamino)-3-pyridyloxy]acetate and <i>tert</i>-butyl 2-(3-thioxopyrido[2,1-<i>c</i>][1,2,4]thiadiazol-8-yloxy)acetate
Acta Crystallographica Section C
2,000
56
5
e224
e226
10.1107/S0108270100005667
0.71073
MoKα
null
0.039
null
null
null
0.123
null
null
null
null
null
0.883
null
null
has coordinates,has Fobs
Coles, Simon J.; Douheret, David; Hursthouse, Michael B.; Kilburn, Jeremy D.; Rossi, Sara <i>tert</i>-Butyl 2-[2-(ethoxycarbothioylamino)-3-pyridyloxy]acetate and <i>tert</i>-butyl 2-(3-thioxopyrido[2,1-<i>c</i>][1,2,4]thiadiazol-8-yloxy)acetate Acta Crystallographica Section C 56(5) (2000) e224-e226
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010950.cif $ #-------------------------------------------------------------------...
2,010,951
15.521
0.003
6.827
0.001
13.574
0.003
90
null
100.06
0.03
90
null
1,416.2
0.5
150
2
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C12 H14 N2 O3 S2 -
- C12 H14 N2 O3 S2 -
- C48 H56 N8 O12 S8 -
4
1
QA0270
Coles, Simon J.; Douheret, David; Hursthouse, Michael B.; Kilburn, Jeremy D.; Rossi, Sara
<i>tert</i>-Butyl 2-[2-(ethoxycarbothioylamino)-3-pyridyloxy]acetate and <i>tert</i>-butyl 2-(3-thioxopyrido[2,1-<i>c</i>][1,2,4]thiadiazol-8-yloxy)acetate
Acta Crystallographica Section C
2,000
56
5
e224
e226
10.1107/S0108270100005667
0.71073
MoKα
null
0.039
null
null
null
0.122
null
null
null
null
null
0.807
null
null
has coordinates,has Fobs
Coles, Simon J.; Douheret, David; Hursthouse, Michael B.; Kilburn, Jeremy D.; Rossi, Sara <i>tert</i>-Butyl 2-[2-(ethoxycarbothioylamino)-3-pyridyloxy]acetate and <i>tert</i>-butyl 2-(3-thioxopyrido[2,1-<i>c</i>][1,2,4]thiadiazol-8-yloxy)acetate Acta Crystallographica Section C 56(5) (2000) e224-e226
201,957
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010951.cif $ #-------------------------------------------------------------------...
2,010,952
9.681
0.002
18.474
0.002
15.786
0.002
90
null
95.27
0.01
90
null
2,811.3
0.7
298
1
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C31 H26 N2 O8 V -
- C31 H26 N2 O8 V -
- C124 H104 N8 O32 V4 -
4
1
QA0271
Uemura, Ryushi; Tsuchimoto, Masanobu; Ohba, Shigeru
[<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV) and [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']oxovanadium(IV)...
Acta Crystallographica Section C
2,000
56
5
e199
e200
10.1107/S0108270100005679
0.71073
MoKα
null
0.056
null
null
null
0.167
null
null
null
null
null
1.309
null
null
has coordinates,has Fobs
Uemura, Ryushi; Tsuchimoto, Masanobu; Ohba, Shigeru [<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV) and [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<...
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010952.cif $ #-------------------------------------------------------------------...
2,010,953
10.508
0.003
11.728
0.002
9.726
0.002
107.66
0.02
96.21
0.02
100.45
0.02
1,106
0.5
298
1
null
null
null
null
null
null
5
P -1
-P 1
2
- C22 H24 N2 O8 V -
- C22 H24 N2 O8 V -
- C44 H48 N4 O16 V2 -
2
1
QA0271
Uemura, Ryushi; Tsuchimoto, Masanobu; Ohba, Shigeru
[<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV) and [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']oxovanadium(IV)...
Acta Crystallographica Section C
2,000
56
5
e199
e200
10.1107/S0108270100005679
0.71073
MoKα
null
0.039
null
null
null
0.116
null
null
null
null
null
1.053
null
null
has coordinates
Uemura, Ryushi; Tsuchimoto, Masanobu; Ohba, Shigeru [<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV) and [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<...
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010953.cif $ #-------------------------------------------------------------------...
2,010,954
12.083
0.003
14.234
0.004
12.05
0.002
93.19
0.02
109.53
0.01
111.55
0.02
1,778.7
0.8
295
1
null
null
null
null
null
null
6
P -1
-P 1
2
- C38 H30 Fe N8 O3 S2 -
- C38 H24 Fe N8 O3 S2 -
- C76 H48 Fe2 N16 O6 S4 -
2
1
QA0272
Hoshina, Gakuse; Ohba, Shigeru; Tsuchiya, Naoko; Isobe, Tetsuhiko; Senna, Mamoru
Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')iron(II) dithiocyanate trihydrate
Acta Crystallographica Section C
2,000
56
5
e191
e192
10.1107/S0108270100005539
0.71073
MoKα
null
0.062
null
null
null
0.201
null
null
null
null
null
1.03
null
null
has coordinates
Hoshina, Gakuse; Ohba, Shigeru; Tsuchiya, Naoko; Isobe, Tetsuhiko; Senna, Mamoru Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')iron(II) dithiocyanate trihydrate Acta Crystallographica Section C 56(5) (2000) e191-e192
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010954.cif $ #-------------------------------------------------------------------...
2,010,955
7.453
0.005
14.911
0.005
11.458
0.005
90
null
107.75
0.04
90
null
1,212.7
1.1
298
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
- C22 H24 Cu2 N4 O8 -
- C22 H24 Cu2 N4 O8 -
- C44 H48 Cu4 N8 O16 -
2
0.5
QA0273
Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru
Tetra-μ-acetato-<i>O</i>:<i>O</i>'-bis[(7-azaindole-<i>N</i>)copper(II)]
Acta Crystallographica Section C
2,000
56
5
e193
e193
10.1107/S0108270100005540
0.71073
MoKα
null
0.041
null
null
null
0.148
null
null
null
null
null
0.93
null
null
has coordinates,has Fobs
Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru Tetra-μ-acetato-<i>O</i>:<i>O</i>'-bis[(7-azaindole-<i>N</i>)copper(II)] Acta Crystallographica Section C 56(5) (2000) e193-e193
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010955.cif $ #-------------------------------------------------------------------...
2,010,956
11.99
0.004
12.988
0.004
11.296
0.005
106.52
0.03
94.31
0.03
90.79
0.03
1,680.6
1.1
298
null
null
null
null
null
null
null
6
P -1
-P 1
2
μ-acetato-O:O'-bis({2,2'[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato}- manganese(III)) perchlorate
- C34 H31 Cl Mn2 N4 O10 -
- C34 H31 Cl Mn2 N4 O10 -
- C68 H62 Cl2 Mn4 N8 O20 -
2
1
QA0274
Kani, Yoshiyuki; Ohba, Shigeru; Nishida, Yuzo
μ-Acetato-<i>O</i>:<i>O</i>'-bis{[bis(salicylidene)ethylenediaminato]manganese(III)} perchlorate
Acta Crystallographica Section C
2,000
56
5
e194
e194
10.1107/S0108270100005552
0.71073
MoKα
null
0.039
null
null
null
0.106
null
null
null
null
null
1.37
null
null
has coordinates
Kani, Yoshiyuki; Ohba, Shigeru; Nishida, Yuzo μ-Acetato-<i>O</i>:<i>O</i>'-bis{[bis(salicylidene)ethylenediaminato]manganese(III)} perchlorate Acta Crystallographica Section C 56(5) (2000) e194-e194
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010956.cif $ #-------------------------------------------------------------------...
2,010,957
13.799
0.002
14.488
0.002
12.608
0.002
99.33
0.01
111.86
0.01
113.14
0.01
2,005.7
0.6
300
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C38 H39 Cl4 Cu2 N6 O4.5 -
- C38 H39 Cl4 Cu2 N6 O4.5 -
- C76 H78 Cl8 Cu4 N12 O9 -
2
1
QA0276
Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo
μ-Chloro-bis{[benzylbis(2-pyridylmethyl)amine-κ^3^<i>N</i>]chlorocopper(II)} perchlorate hemihydrate
Acta Crystallographica Section C
2,000
56
5
e195
e195
10.1107/S0108270100005564
0.71073
MoKα
null
0.04
null
null
null
0.141
null
null
null
null
null
1.02
null
null
has coordinates
Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo μ-Chloro-bis{[benzylbis(2-pyridylmethyl)amine-κ^3^<i>N</i>]chlorocopper(II)} perchlorate hemihydrate Acta Crystallographica Section C 56(5) (2000) e195-e195
194,474
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-03-24 12:00:48 +0200 (Fri, 24 Mar 2017) $ #$Revision: 194474 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010957.cif $ #-------------------------------------------------------------------...
2,010,958
11.38
0.001
9.877
0.002
17.4
0.002
90
null
104.79
0.01
90
null
1,891
0.5
298
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C38 H36 Cl2 Cu2 N6 O10 -
- C38 H36 Cl2 Cu2 N6 O10 -
- C76 H72 Cl4 Cu4 N12 O20 -
2
0.5
QA0277
Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo
Redetermination of bis{[(2-hydroxyphenylmethyl)bis(2-pyridylmethyl)aminato]copper(II)} diperchlorate
Acta Crystallographica Section C
2,000
56
5
e201
e201
10.1107/S0108270100005680
0.71073
MoKα
null
0.063
null
null
null
0.185
null
null
null
null
null
0.98
null
null
has coordinates,has Fobs
Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo Redetermination of bis{[(2-hydroxyphenylmethyl)bis(2-pyridylmethyl)aminato]copper(II)} diperchlorate Acta Crystallographica Section C 56(5) (2000) e201-e201
301,798
2025-08-19
6:41:46
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010958.cif $ #-------------------------------------------------------------------...
2,010,959
13.064
0.003
13.347
0.004
14.077
0.003
90
null
101.52
0.02
90
null
2,405.1
1.1
296
null
null
null
null
null
null
null
8
P 1 21/n 1
-P 2yn
14
- C21 H22 Cl Cu F6 N4 O P -
- C21 H22 Cl Cu F6 N4 O P -
- C84 H88 Cl4 Cu4 F24 N16 O4 P4 -
4
1
QA0278
Kani, Yoshiyuki; Ohba, Shigeru; Nishida, Yuzo
[<i>N</i>'-Benzoyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl-κ<i>N</i>)ethylenediamine-κ<i>N</i>]chlorocopper(II) hexafluorophosphate
Acta Crystallographica Section C
2,000
56
5
e196
e196
10.1107/S0108270100005576
0.71073
MoKα
null
0.065
null
null
null
0.196
null
null
null
null
null
1.38
null
null
has coordinates,has Fobs
Kani, Yoshiyuki; Ohba, Shigeru; Nishida, Yuzo [<i>N</i>'-Benzoyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl-κ<i>N</i>)ethylenediamine-κ<i>N</i>]chlorocopper(II) hexafluorophosphate Acta Crystallographica Section C 56(5) (2000) e196-e196
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/09/2010959.cif $ #-------------------------------------------------------------------...
2,010,960
11.044
0.002
11.085
0.001
15.858
0.001
90
null
95.1
0.009
90
null
1,933.7
0.4
299
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C16 H22 Cl2 Cu N4 O4 -
- C16 H22 Cl2 Cu N4 O4 -
- C64 H88 Cl8 Cu4 N16 O16 -
4
1
QA0279
Kani, Yoshiyuki; Ohba, Shigeru; Kunita, Mami; Nishida, Yuzo
[1,6-Bis(2-pyridylmethyl)-2,5-diazahexane-κ^4^<i>N</i>]chlorocopper(II) perchlorate
Acta Crystallographica Section C
2,000
56
5
e197
e197
10.1107/S0108270100005588
0.71073
MoKα
null
0.049
null
null
null
0.122
null
null
null
null
null
1.51
null
null
has coordinates,has Fobs
Kani, Yoshiyuki; Ohba, Shigeru; Kunita, Mami; Nishida, Yuzo [1,6-Bis(2-pyridylmethyl)-2,5-diazahexane-κ^4^<i>N</i>]chlorocopper(II) perchlorate Acta Crystallographica Section C 56(5) (2000) e197-e197
176,760
2020-10-21
18:00:00
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