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
3,000,005
8.5542
0.0006
10.5222
0.0007
10.711
0.0007
65.084
0.001
71.622
0.001
67.507
0.001
794.06
0.09
298
2
298
2
null
null
null
null
5
P -1
-P 1
2
- C24 H36 Mn N12 O10 -
- C24 H36 Mn N12 O10 -
- C24 H36 Mn N12 O10 -
1
0.5
Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Dalton Transactions
2,012
null
10390
10395
10.1039/c2dt30992k
0.71073
MoKα
0.0381
0.0357
null
null
0.0941
0.0958
null
null
null
null
null
1.074
null
null
has coordinates
Carmen R. Maldonado; Miguel Quiros; Juan M. Salas H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition Dalton Transactions (2012) 10390-10395
301,810
2025-08-19
19:21:34
#------------------------------------------------------------------------------ #$Date: 2025-08-19 22:21:09 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301810 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/3/00/00/3000005.cif $ #-------------------------------------------------------------------...
2,007,164
12.021
0.003
20.149
0.003
6.655
0.002
90
null
90
null
90
null
1,611.9
0.7
294
null
294
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C20 H23 N O -
- C20 H23 N O -
- C80 H92 N4 O4 -
4
1
FG1351
Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie
Structure and Photochemistry of Four Adamantylacetophenones
Acta Crystallographica Section C
1,998
54
4
491
496
10.1107/S0108270197015862
0.7107
MoKα
null
0.048
null
null
null
0.153
null
null
null
null
null
1.45
null
null
has coordinates
Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie Structure and Photochemistry of Four Adamantylacetophenones Acta Crystallographica Section C 54(4) (1998) 491-496
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007164.cif $ #-------------------------------------------------------------------...
2,007,165
12.987
0.003
18.439
0.005
7.281
0.002
101.23
0.02
98.32
0.02
91.12
0.02
1,690.1
0.8
294
null
294
null
null
null
null
null
3
P -1
-P 1
2
- C20 H24 O3 -
- C20 H24 O3 -
- C80 H96 O12 -
4
2
FG1351
Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie
Structure and Photochemistry of Four Adamantylacetophenones
Acta Crystallographica Section C
1,998
54
4
491
496
10.1107/S0108270197015862
0.7107
MoKα
null
0.079
null
null
null
0.248
null
null
null
null
null
2.02
null
null
has coordinates
Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie Structure and Photochemistry of Four Adamantylacetophenones Acta Crystallographica Section C 54(4) (1998) 491-496
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007165.cif $ #-------------------------------------------------------------------...
2,007,166
7.983
0.004
6.054
0.003
22.595
0.001
90
null
95.74
0.01
90
null
1,086.5
0.8
253
null
253
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C11 H10 N2 O4 -
- C11 H10 N2 O4 -
- C44 H40 N8 O16 -
4
1
FG1373
Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Francisco, Regina Helena Porto
Pyridine <i>N</i>-Oxide and 4-Nitrophenol (1:1 Complex)
Acta Crystallographica Section C
1,998
54
4
513
515
10.1107/S0108270197013474
0.71073
MoKα
0.0653
0.0382
null
0.1289
0.0995
null
null
null
1.003
0.947
0.947
null
null
null
has coordinates
Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Francisco, Regina Helena Porto Pyridine <i>N</i>-Oxide and 4-Nitrophenol (1:1 Complex) Acta Crystallographica Section C 54(4) (1998) 513-515
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007166.cif $ #-------------------------------------------------------------------...
2,007,167
14.381
0.003
7.697
0.003
14.2869
0.0012
90
null
100.801
0.01
90
null
1,553.4
0.7
294
null
294
null
null
null
null
null
5
C 1 c 1
C -2yc
9
- C12 H18 Mo N4 O4 -
- C12 H18 Mo N4 O4 -
- C48 H72 Mo4 N16 O16 -
4
1
FG1386
Ehlert, Martin K.; Rettig, Steven J.; Storr, Alan; Trotter, James
A <i>cis</i>-Dioxomolybdenum(VI) Complex, [Mo{N~2~C~3~H~3~C(Me)~2~O}~2~(O)~2~]
Acta Crystallographica Section C
1,998
54
4
473
475
10.1107/S0108270197015898
0.7107
MoKα
null
0.027
null
null
null
0.053
null
null
null
null
null
1.14
null
null
has coordinates
Ehlert, Martin K.; Rettig, Steven J.; Storr, Alan; Trotter, James A <i>cis</i>-Dioxomolybdenum(VI) Complex, [Mo{N~2~C~3~H~3~C(Me)~2~O}~2~(O)~2~] Acta Crystallographica Section C 54(4) (1998) 473-475
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007167.cif $ #-------------------------------------------------------------------...
2,018,069
9.4744
0.0012
9.5803
0.0012
19.145
0.002
90
null
90
null
90
null
1,737.7
0.4
296
2
296
2
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
Poly[tetra-μ~2~-L-lactato-indium(III)sodium(I)]
- C12 H20 In Na O12 -
- C12 H20 In Na O12 -
- C48 H80 In4 Na4 O48 -
4
1
LG3055
Wei, Jia-Jia; Zhang, Na; Wang, Yu-Ling; Liu, Qing-Yan
Poly[tetra-μ~2~-<small>L</small>-lactato-indium(III)sodium(I)]
Acta Crystallographica Section C
2,011
67
5
m145
m148
10.1107/S0108270111013606
0.71073
MoKα
0.0378
0.0285
null
null
0.0532
0.0568
null
null
null
null
null
1.022
null
null
has coordinates,has Fobs
Wei, Jia-Jia; Zhang, Na; Wang, Yu-Ling; Liu, Qing-Yan Poly[tetra-μ~2~-<small>L</small>-lactato-indium(III)sodium(I)] Acta Crystallographica Section C 67(5) (2011) m145-m148
288,505
2023-12-22
15:12:01
#------------------------------------------------------------------------------ #$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $ #$Revision: 288505 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018069.cif $ #-------------------------------------------------------------------...
2,007,168
23.106
0.013
16.445
0.012
7.985
0.007
90
null
90
null
90
null
3,034
4
294
null
294
null
null
null
null
null
4
P b c a
-P 2ac 2ab
61
- C18 H17 N S -
- C18 H17 N S -
- C144 H136 N8 S8 -
8
1
FG1388
Fu, Tai Y.; Scheffer, John R.; Trotter, James
3-(4-Cyanophenyl)-2,2-dimethyl-1-phenylpropane-1-thione
Acta Crystallographica Section C
1,998
54
4
496
497
10.1107/S0108270197015904
0.7107
MoKα
null
0.063
null
null
null
0.206
null
null
null
null
null
1.225
null
null
has coordinates
Fu, Tai Y.; Scheffer, John R.; Trotter, James 3-(4-Cyanophenyl)-2,2-dimethyl-1-phenylpropane-1-thione Acta Crystallographica Section C 54(4) (1998) 496-497
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007168.cif $ #-------------------------------------------------------------------...
2,007,169
36.149
0.011
5.471
0.001
18.673
0.007
90
null
109.47
0.03
90
null
3,481.8
1.9
293
2
293
2
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
3',4"-Didecyl-2,2';5',2";5",2"'-quaterthiophene
- C36 H50 S4 -
- C36 H50 S4 -
- C144 H200 S16 -
4
0.5
FG1393
Wang, Shanger; Brisse, François; Bélanger-Gariépy, Francine; Donat-Bouillud, Anne; Leclerc, Mario
3',4''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene
Acta Crystallographica Section C
1,998
54
4
553
555
10.1107/S0108270197016302
1.5418
CuKα
0.0623
0.0477
null
0.1404
null
0.1326
null
null
0.963
null
null
1.076
null
null
has coordinates,has disorder
Wang, Shanger; Brisse, François; Bélanger-Gariépy, Francine; Donat-Bouillud, Anne; Leclerc, Mario 3',4''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene Acta Crystallographica Section C 54(4) (1998) 553-555
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007169.cif $ #-------------------------------------------------------------------...
2,007,170
12.558
0.004
5.4771
0.0015
23.207
0.005
90
null
90
null
90
null
1,596.2
0.8
173
2
173
2
null
null
null
null
5
P n a 21
P 2c -2n
33
Di(4-nitrobenzenesulfonyl)amine Monohydrate
- C12 H11 N3 O9 S2 -
- C12 H11 N3 O9 S2 -
- C48 H44 N12 O36 S8 -
4
1
FG1400
Moers, Oliver; Jones, Peter G.; Blaschette, Armand
Polysulfonylamines. C. Bis(4-nitrobenzenesulfonyl)amine Monohydrate
Acta Crystallographica Section C
1,998
54
4
504
507
10.1107/S0108270197016314
0.71073
MoKα
0.0387
0.0323
null
0.074
0.0724
null
null
null
1.063
1.114
1.114
null
null
null
has coordinates
Moers, Oliver; Jones, Peter G.; Blaschette, Armand Polysulfonylamines. C. Bis(4-nitrobenzenesulfonyl)amine Monohydrate Acta Crystallographica Section C 54(4) (1998) 504-507
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007170.cif $ #-------------------------------------------------------------------...
3,000,004
8.557
0.0012
9.1663
0.0013
10.95
0.0015
108.647
0.002
108.125
0.002
101.431
0.002
729.94
0.18
298
2
298
2
null
null
null
null
5
P -1
-P 1
2
- C22 H32 Mn N12 O10 -
- C22 H32 Mn N12 O10 -
- C22 H32 Mn N12 O10 -
1
0.5
Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Dalton Transactions
2,012
null
10390
10395
10.1039/c2dt30992k
0.71073
MoKα
0.0419
0.0386
null
null
0.1033
0.1062
null
null
null
null
null
1.083
null
null
has coordinates
Carmen R. Maldonado; Miguel Quiros; Juan M. Salas H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition Dalton Transactions (2012) 10390-10395
301,810
2025-08-19
19:21:34
#------------------------------------------------------------------------------ #$Date: 2025-08-19 22:21:09 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301810 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/3/00/00/3000004.cif $ #-------------------------------------------------------------------...
2,007,171
17.108
0.002
10.45
0.002
15.188
0.003
90
null
93.33
0.05
90
null
2,710.7
0.8
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C12 H10 N4 O4 S -
- C12 H10 N4 O4 S -
- C96 H80 N32 O32 S8 -
8
1
FR1057
Aygün, Muhittin; Işik, Şamil; Öcal, Nüket; Tahir, M.Nawaz; Kaban, Şeniz; Büyükgüngör, Orhan
Thiophene-2-carbaldehyde <i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>-methylhydrazone
Acta Crystallographica Section C
1,998
54
4
527
529
10.1107/S0108270197015928
0.7107
MoKα
0.0459
0.0347
null
0.0771
0.073
null
null
null
0.973
1.013
1.013
null
null
null
has coordinates,has disorder
Aygün, Muhittin; Işik, Şamil; Öcal, Nüket; Tahir, M.Nawaz; Kaban, Şeniz; Büyükgüngör, Orhan Thiophene-2-carbaldehyde <i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>-methylhydrazone Acta Crystallographica Section C 54(4) (1998) 527-529
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007171.cif $ #-------------------------------------------------------------------...
2,007,172
14.3132
0.001
10.5769
0.0015
17.9455
0.0013
90
null
107.351
0.006
90
null
2,593.1
0.5
170
null
170
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
r-5-dimethylamino-1,1,t-6-trimethyl-2,t-6a-di-p-tolyl-1,1a,5,6,6a,6b-hexahydro- cis-1a-transoid-6a,6b-3,3a-diaza-cyclopro-pa[e]indene-4,4-dicarbonitrile
- C29 H33 N5 -
- C29 H33 N5 -
- C116 H132 N20 -
4
1
JZ1241
Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen
Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
Acta Crystallographica Section C
1,998
54
4
509
513
10.1107/S010827019701439X
0.71069
MoKα
0.0484
0.0339
null
0.0905
0.0871
null
null
null
1.063
1.191
1.191
null
null
null
has coordinates
Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts Acta Crystallographica Section C 54(4) (1998) 509-513
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007172.cif $ #-------------------------------------------------------------------...
2,007,173
16.246
0.003
10.8936
0.0008
20.173
0.003
90
null
134.282
0.009
90
null
2,555.9
0.7
200
null
200
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
r-5-dimethylamino-1,1,c-6-trimethyl-2,t-6a-di-p-tolyl-1,1a,5,6,6a,6b-hexahydro- cis-1a-transoid-6a,6b-3,3a-diaza-cyclopro-pa[e]indene-4,4-dicarbonitrile
- C29 H33 N5 -
- C29 H33 N5 -
- C116 H132 N20 -
4
1
JZ1241
Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen
Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
Acta Crystallographica Section C
1,998
54
4
509
513
10.1107/S010827019701439X
0.71069
MoKα
0.0656
0.048
null
0.1343
0.1252
null
null
null
0.965
1.073
1.073
null
null
null
has coordinates
Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts Acta Crystallographica Section C 54(4) (1998) 509-513
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007173.cif $ #-------------------------------------------------------------------...
2,230,064
12.6233
0.0011
5.8227
0.0005
15.6745
0.0014
90
null
97.317
0.003
90
null
1,142.72
0.17
200
2
200
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
Desyl Chloride
2-Chloro-1,2-diphenylethanone
- C14 H11 Cl O -
- C14 H11 Cl O -
- C56 H44 Cl4 O4 -
4
1
LD2009
Betz, Richard; McCleland, Cedric; Hosten, Eric
2-Chloro-1,2-diphenylethanone (desyl chloride)
Acta Crystallographica Section E
2,011
67
5
o1199
10.1107/S1600536811014541
0.71073
MoKα
0.046
0.0369
null
null
0.0971
0.1041
null
null
null
null
null
1.066
null
null
has coordinates,has Fobs
Betz, Richard; McCleland, Cedric; Hosten, Eric 2-Chloro-1,2-diphenylethanone (desyl chloride) Acta Crystallographica Section E 67(5) (2011) o1199
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230064.cif $ #-------------------------------------------------------------------...
2,007,174
12.156
0.002
14.537
0.0011
14.499
0.0014
90
null
100.352
0.011
90
null
2,520.4
0.5
150
null
150
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
c-2-dimethylamino-r-1,1,5-trimethyl-6-(4-methyl-benzoyl)-t-7a-p-tolyl- 1,2,5,7a-tetrahydro-pyrrolizine-3,3-dicarbonitrile
- C29 H32 N4 O -
- C29 H32 N4 O -
- C116 H128 N16 O4 -
4
1
JZ1241
Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen
Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
Acta Crystallographica Section C
1,998
54
4
509
513
10.1107/S010827019701439X
0.71069
MoKα
0.0556
0.0394
null
0.1071
0.1016
null
null
null
1.041
1.159
1.159
null
null
null
has coordinates
Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts Acta Crystallographica Section C 54(4) (1998) 509-513
301,791
2025-08-18
23:15:30
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2,007,175
9.2212
0.0004
18.0246
0.001
17.4099
0.0008
90
null
101.016
0.005
90
null
2,840.4
0.2
170
null
170
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
1,1-Dimethyl-4a-pyrolidin-1-yl-2,8b-di-p-tolyl-1,1a,4a,5,6,7,8,8a,8b,8c- decahydro-cis-1a-cis-4a-transoid-8a,8b-transoid-8b,8c-3,3a-diaza-cyclopropa [c]fluoren-4,4-dicarbonitril
- C34 H39 N5 -
- C34 H39 N5 -
- C136 H156 N20 -
4
1
JZ1241
Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen
Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
Acta Crystallographica Section C
1,998
54
4
509
513
10.1107/S010827019701439X
0.71069
MoKα
0.0796
0.0344
null
0.0551
0.0503
null
null
null
0.713
0.95
0.95
null
null
null
has coordinates
Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts Acta Crystallographica Section C 54(4) (1998) 509-513
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007175.cif $ #-------------------------------------------------------------------...
3,000,003
8.4223
0.0006
10.1249
0.0007
11.7854
0.0008
100.942
0.001
99.816
0.001
94.821
0.001
965.22
0.12
100
2
100
2
null
null
null
null
6
P -1
-P 1
2
- C32 H36 Cd N14 O8 S2 -
- C32 H36 Cd N14 O8 S2 -
- C32 H36 Cd N14 O8 S2 -
1
0.5
Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Dalton Transactions
2,012
null
10390
10395
10.1039/c2dt30992k
0.71073
MoKα
0.032
0.0311
null
null
0.0821
0.0827
null
null
null
null
null
1.059
null
null
has coordinates
Carmen R. Maldonado; Miguel Quiros; Juan M. Salas H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition Dalton Transactions (2012) 10390-10395
301,810
2025-08-19
19:21:34
#------------------------------------------------------------------------------ #$Date: 2025-08-19 22:21:09 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301810 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/3/00/00/3000003.cif $ #-------------------------------------------------------------------...
2,007,176
7.08
0.003
6.8203
0.0005
29.473
0.004
90
0.008
90.32
0.03
90
0.02
1,423.2
0.6
208
2
208
2
null
null
null
null
6
P 1 2/n 1
-P 2yac
13
Dipyridinomethane cis-Dibromotetrafluoroosmate(IV)
- C11 H12 Br2 F4 N2 Os -
- C11 H12 Br2 F4 N2 Os -
- C44 H48 Br8 F16 N8 Os4 -
4
1
JZ1245
Höhling, Matthias; Preetz, Wilhelm
Dipyridiniomethane <i>cis</i>-Dibromotetrafluoroosmate(IV), <i>cis</i>-[(C~5~H~5~ N)~2~CH~2~][OsBr~2~F~4~]
Acta Crystallographica Section C
1,998
54
4
481
483
10.1107/S0108270197017174
0.71069
MoKα
0.043
0.0261
null
null
0.0616
0.0734
null
null
null
null
null
1.17
null
null
has coordinates
Höhling, Matthias; Preetz, Wilhelm Dipyridiniomethane <i>cis</i>-Dibromotetrafluoroosmate(IV), <i>cis</i>-[(C~5~H~5~ N)~2~CH~2~][OsBr~2~F~4~] Acta Crystallographica Section C 54(4) (1998) 481-483
176,759
2020-10-21
18:00:00
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2,007,177
9.7824
0.0007
10.583
0.001
16.344
0.001
90
null
90
null
90
null
1,692
0.2
293
2
293
2
null
null
null
null
6
P 21 21 21
P 2ac 2ab
19
(R)-2-(4-bromophenyl)-2-oxoethyl 2-methoxymethylpyrrolidine-1- dithiocarboxylate
- C15 H18 Br N O2 S2 -
- C15 H18 Br N O2 S2 -
- C60 H72 Br4 N4 O8 S8 -
4
1
JZ1254
Biedermann, Matthias; Hartung, Helmut; Dölling, Wolfgang; Verjus, Pierre
(<i>R</i>)- and (<i>S</i>)-2-(4-Bromophenyl)-2-oxoethyl 2-Methoxymethylpyrrolidine-1-dithiocarboxylate
Acta Crystallographica Section C
1,998
54
4
507
509
10.1107/S0108270197016570
0.71073
MoKα
0.125
0.0623
null
0.1326
0.0941
null
null
null
1.242
1.17
1.17
null
null
null
has coordinates
Biedermann, Matthias; Hartung, Helmut; Dölling, Wolfgang; Verjus, Pierre (<i>R</i>)- and (<i>S</i>)-2-(4-Bromophenyl)-2-oxoethyl 2-Methoxymethylpyrrolidine-1-dithiocarboxylate Acta Crystallographica Section C 54(4) (1998) 507-509
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007177.cif $ #-------------------------------------------------------------------...
2,007,178
7.43
0.004
18.453
0.002
7.686
0.003
90
null
96.32
0.02
90
null
1,047.4
0.7
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
2H-1-benzopyran-2-[cyano(methylthio)methylene]
- C12 H9 N O S -
- C12 H9 N O S -
- C48 H36 N4 O4 S4 -
4
1
JZ1258
Pochat, Francis; L'Haridon, Paul
α-(2<i>H</i>-1-Benzopyran-2-ylidene)-α-(methylthio)acetonitrile, a Chromylidene Acetonitrile
Acta Crystallographica Section C
1,998
54
4
531
533
10.1107/S0108270197015874
0.7107
MoKα
null
0.058
null
null
null
0.066
null
null
null
null
null
1.15
null
null
has coordinates
Pochat, Francis; L'Haridon, Paul α-(2<i>H</i>-1-Benzopyran-2-ylidene)-α-(methylthio)acetonitrile, a Chromylidene Acetonitrile Acta Crystallographica Section C 54(4) (1998) 531-533
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007178.cif $ #-------------------------------------------------------------------...
2,007,179
12.1747
0.0016
12.1747
0.0016
13.791
0.002
90
null
90
null
90
null
2,044.1
0.5
293
2
293
2
null
null
null
null
6
P 43
P 4cw
78
N,N'-dibutylthiourea-(N-salicylideneglycinato)copper(II)
- C18 H27 Cu N3 O3 S -
- C18 H27 Cu N3 O3 S -
- C72 H108 Cu4 N12 O12 S4 -
4
1
JZ1262
Warda, Salam A.
An Exact Quasi-Ferrodistortive Ordering in (<i>N</i>,<i>N</i>'-Di-<i>n</i>-butylthiourea-<i>S</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C
1,998
54
4
460
462
10.1107/S0108270197016582
0.71073
MoKα
0.0545
0.035
null
null
null
0.0803
null
null
null
null
null
1.018
null
null
has coordinates
Warda, Salam A. An Exact Quasi-Ferrodistortive Ordering in (<i>N</i>,<i>N</i>'-Di-<i>n</i>-butylthiourea-<i>S</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) Acta Crystallographica Section C 54(4) (1998) 460-462
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007179.cif $ #-------------------------------------------------------------------...
2,230,063
8.0761
0.0008
7.7874
0.0008
11.776
0.0011
90
null
95.033
0.007
90
null
737.76
0.13
298
2
298
2
null
null
null
null
3
P 1 21 1
P 2yb
4
(<i>S</i>)-(+)-<i>N</i>-Benzylidene-1-(1-naphthyl)ethylamine
- C19 H17 N -
- C19 H17 N -
- C38 H34 N2 -
2
1
LD2008
Bernès, Sylvain; Hernández, Guadalupe; Vázquez, Jaime; Tovar, Alejandra; Gutiérrez, René
(<i>S</i>)-(+)-<i>N</i>-Benzylidene-1-(1-naphthyl)ethylamine
Acta Crystallographica Section E
2,011
67
5
o1257
10.1107/S1600536811012980
0.71073
MoKα
0.0475
0.0343
null
null
0.086
0.0941
null
null
null
null
null
1.023
null
null
has coordinates,has Fobs
Bernès, Sylvain; Hernández, Guadalupe; Vázquez, Jaime; Tovar, Alejandra; Gutiérrez, René (<i>S</i>)-(+)-<i>N</i>-Benzylidene-1-(1-naphthyl)ethylamine Acta Crystallographica Section E 67(5) (2011) o1257
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230063.cif $ #-------------------------------------------------------------------...
2,007,180
7.949
0.001
13.383
0.003
14.34
0.004
104.06
0.02
102.15
0.02
95.93
0.02
1,427.3
0.6
223
2
223
2
null
null
null
null
5
P -1
-P 1
2
[1,2-Di(methoxyethyl)cyclopentadienyl]-trichlorozirconium(IV)
- C11 H17 Cl3 O2 Zr -
- C11 H17 Cl3 O2 Zr -
- C44 H68 Cl12 O8 Zr4 -
4
2
JZ1264
van der Zeijden, Adolphus A. H.; Mattheis, Chris; Fröhlich, Roland
[1,2-Bis(2-methoxyethyl-<i>O</i>)-η^5^-cyclopentadienyl]trichlorozirconium(IV)
Acta Crystallographica Section C
1,998
54
4
458
460
10.1107/S0108270197016594
0.71073
MoKα
0.0578
0.0385
null
0.1648
0.0978
null
null
null
1.189
1.119
1.119
null
null
null
has coordinates
van der Zeijden, Adolphus A. H.; Mattheis, Chris; Fröhlich, Roland [1,2-Bis(2-methoxyethyl-<i>O</i>)-η^5^-cyclopentadienyl]trichlorozirconium(IV) Acta Crystallographica Section C 54(4) (1998) 458-460
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007180.cif $ #-------------------------------------------------------------------...
2,007,181
8.546
0.001
17.865
0.002
15.044
0.002
90
null
98.14
0.02
90
null
2,273.7
0.5
293
2
293
2
null
null
null
null
5
P 1 21/a 1
-P 2yab
null
- C23 H23 N O8 S -
- C23 H23 N O8 S -
- C92 H92 N4 O32 S4 -
4
1
LN1030
Pèpe, Gérard; Jean-Claude Wallet; Amar Habsaoui; Emile M. Gaydou
<i>p</i>-Toluidinium 2'-Hydroxy-3'-methoxy-5'-flavonesulfonate Hydrate
Acta Crystallographica Section C
1,998
54
4
525
527
10.1107/S0108270197015631
0.71073
MoKα
0.0451
0.043
null
0.088
0.0876
null
null
null
1.003
1.194
1.194
null
null
null
has coordinates
Pèpe, Gérard; Jean-Claude Wallet; Amar Habsaoui; Emile M. Gaydou <i>p</i>-Toluidinium 2'-Hydroxy-3'-methoxy-5'-flavonesulfonate Hydrate Acta Crystallographica Section C 54(4) (1998) 525-527
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007181.cif $ #-------------------------------------------------------------------...
3,000,002
8.5931
0.0004
9.0396
0.0004
10.9308
0.0005
109.292
0.001
107.638
0.001
101.821
0.001
718.5
0.06
100
2
100
2
null
null
null
null
5
P -1
-P 1
2
- C22 H32 Cd N12 O10 -
- C22 H32 Cd N12 O10 -
- C22 H32 Cd N12 O10 -
1
0.5
Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Dalton Transactions
2,012
null
10390
10395
10.1039/c2dt30992k
0.71073
MoKα
0.0232
0.0231
null
null
0.0591
0.0592
null
null
null
null
null
1.068
null
null
has coordinates,has Fobs
Carmen R. Maldonado; Miguel Quiros; Juan M. Salas H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition Dalton Transactions (2012) 10390-10395
301,810
2025-08-19
19:21:34
#------------------------------------------------------------------------------ #$Date: 2025-08-19 22:21:09 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301810 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/3/00/00/3000002.cif $ #-------------------------------------------------------------------...
2,007,182
7.471
0.001
7.735
0.001
12.33
0.001
85.043
0.007
73.879
0.008
82.665
0.007
677.94
0.14
295
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C14 H12 Cl N O2 S -
- C14 H12 Cl N O2 S -
- C28 H24 Cl2 N2 O4 S2 -
2
1
MU1319
Tarimci, Çelik; Ercan, Filiz; Koçoḡlu, Meltem; Ören , İlkay
<i>N</i>-(2-Hydroxy-5-chlorophenyl)thiophenylacetamide
Acta Crystallographica Section C
1,998
54
4
488
489
10.1107/S010827019701545X
0.71073
MoKα
null
0.033
null
null
0.043
null
null
null
null
1.11
1.11
null
null
null
has coordinates
Tarimci, Çelik; Ercan, Filiz; Koçoḡlu, Meltem; Ören , İlkay <i>N</i>-(2-Hydroxy-5-chlorophenyl)thiophenylacetamide Acta Crystallographica Section C 54(4) (1998) 488-489
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007182.cif $ #-------------------------------------------------------------------...
2,007,183
10.317
0.002
5.864
0.004
24.582
0.001
90
null
100.15
0.02
90
null
1,463.9
1
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
1-[2-(napthalenyl)]-3-(3-nitrophenyl)-2-propen-1-one
- C19 H13 N O3 -
- C19 H13 N O3 -
- C76 H52 N4 O12 -
4
1
MU1335
Shanmuga Sundara Raj, S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S.
1-(2-Naphthalenyl)-3-(3-nitrophenyl)-2-propen-1-one
Acta Crystallographica Section C
1,998
54
4
541
542
10.1107/S0108270197015953
1.5418
CuKα
0.029
0.028
null
0.118
0.097
null
null
null
1.079
0.925
0.925
null
null
null
has coordinates
Shanmuga Sundara Raj, S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S. 1-(2-Naphthalenyl)-3-(3-nitrophenyl)-2-propen-1-one Acta Crystallographica Section C 54(4) (1998) 541-542
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007183.cif $ #-------------------------------------------------------------------...
2,007,184
7.596
0.001
15.53
0.002
6.966
0.001
90
null
90
null
90
null
821.75
0.19
293
2
293
2
null
null
null
null
5
P n n m
-P 2 2n
58
Bis (2-chloroimidazolium) hexachloroplatinate(IV)
- C6 H8 Cl8 N4 Pt -
- C6 H8 Cl8 N4 Pt -
- C12 H16 Cl16 N8 Pt2 -
2
0.25
MU1347
Giovanni Valle; Renato Ettorre
Bis(2-chloro-1<i>H</i>-imidazol-3-ium) Hexachloroplatinate(IV), (C~3~H~4~ClN~2~)~2~[PtCl~6~]
Acta Crystallographica Section C
1,998
54
4
448
449
10.1107/S0108270197015965
0.7107
MoKα
0.048
0.041
null
0.106
0.101
null
null
null
1.283
1.329
1.329
null
null
null
has coordinates
Giovanni Valle; Renato Ettorre Bis(2-chloro-1<i>H</i>-imidazol-3-ium) Hexachloroplatinate(IV), (C~3~H~4~ClN~2~)~2~[PtCl~6~] Acta Crystallographica Section C 54(4) (1998) 448-449
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007184.cif $ #-------------------------------------------------------------------...
2,007,185
9.7495
0.0009
13.0024
0.0014
16.358
0.002
90
null
94.096
0.008
90
null
2,068.4
0.4
293
2
294
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
(6,7-Dimethyl-2,3-bis(2-pyridyl)-quinoxaline-N,N')-dichloro-palladium(II) hydrate
- C20 H18 Cl2 N4 O Pd -
- C20 H16 Cl2 N4 O Pd -
- C80 H64 Cl8 N16 O4 Pd4 -
4
1
MU1352
Nicoló, Francesco; Cusumano, Matteo; Di Pietro, Maria Letizia; Scopelliti, Rosario; Bruno, Giuseppe
Dichloro[6,7-dimethyl-2,3-bis(2-pyridyl-<i>N</i>)quinoxaline]palladium(II) Monohydrate
Acta Crystallographica Section C
1,998
54
4
485
487
10.1107/S0108270198000511
0.71073
MoKα
0.0357
0.0285
null
0.0879
0.0862
null
null
null
1.05
1.159
1.159
null
null
null
has coordinates
Nicoló, Francesco; Cusumano, Matteo; Di Pietro, Maria Letizia; Scopelliti, Rosario; Bruno, Giuseppe Dichloro[6,7-dimethyl-2,3-bis(2-pyridyl-<i>N</i>)quinoxaline]palladium(II) Monohydrate Acta Crystallographica Section C 54(4) (1998) 485-487
176,759
2020-10-21
18:00:00
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2,007,186
9.337
0.008
7.597
0.004
9.321
0.006
90
null
104.46
0.07
90
null
640.2
0.8
110
1
110
1
null
null
null
null
5
P 1 21 1
P 2yb
4
L-histidinol phosphate tetrahydrate
- C6 H20 N3 O8 P -
- C6 H20 N3 O8 P -
- C12 H40 N6 O16 P2 -
2
1
MU1353
Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo
<small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K
Acta Crystallographica Section C
1,998
54
4
559
561
10.1107/S0108270197016776
0.71073
MoKα
0.038
0.027
null
0.069
0.065
null
null
null
1.104
1.131
1.131
null
null
null
has coordinates
Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo <small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K Acta Crystallographica Section C 54(4) (1998) 559-561
301,791
2025-08-18
23:15:30
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2,007,187
9.359
0.007
7.621
0.003
9.367
0.006
90
null
104.31
0.06
90
null
647.4
0.7
240
1
240
1
null
null
null
null
5
P 1 21 1
P 2yb
4
L-histidinol phosphate tetrahydrate
- C6 H20 N3 O8 P -
- C6 H20 N3 O8 P -
- C12 H40 N6 O16 P2 -
2
1
MU1353
Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo
<small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K
Acta Crystallographica Section C
1,998
54
4
559
561
10.1107/S0108270197016776
0.71073
MoKα
0.0579
0.0311
null
0.0865
0.0778
null
null
null
1.048
1.083
1.083
null
null
null
has coordinates
Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo <small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K Acta Crystallographica Section C 54(4) (1998) 559-561
301,791
2025-08-18
23:15:30
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2,007,188
12.686
0.001
12.686
0.001
9.314
0.002
90
null
90
null
120
null
1,298.1
0.3
293
2
293
2
null
null
null
null
6
P 3 1 c
P 3 -2c
159
Tris(N,N'-diethylthiourea)copper(I)Iodide
- C15 H36 Cu I N6 S3 -
- C15 H36 Cu I N6 S3 -
- C30 H72 Cu2 I2 N12 S6 -
2
0.333333
MU1356
Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit
Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)
Acta Crystallographica Section C
1,998
54
4
453
456
10.1107/S0108270197016764
0.71073
MoKα
0.037
0.03
null
0.081
0.077
null
null
null
0.994
1.056
1.056
null
null
null
has coordinates
Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I) Acta Crystallographica Section C 54(4) (1998) 453-456
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007188.cif $ #-------------------------------------------------------------------...
2,230,062
18.505
0.009
27.012
0.013
7.63
0.004
90
null
90
null
90
null
3,814
3
296
2
296
2
null
null
null
null
5
P b a 2
P 2 -2ab
32
<i>rac</i>-(1<i>R</i>,2<i>S</i>,6<i>R</i>,7<i>R</i>)-4-{[(1<i>E</i>)-(2-Chlorophenyl)methylidene]amino}-1-isopropyl-7-methyl-4-azatricyclo[5.2.2.0^2,6^]undec-8-ene-3,5-dione
- C21 H23 Cl N2 O2 -
- C21 H23 Cl N2 O2 -
- C168 H184 Cl8 N16 O16 -
8
2
LD2006
Huang, Jian-Xin; Duan, Wen-Gui; Ma, Xian-Li; Mo, Qi-Jin; Liang, Yin-Hua
<i>rac</i>-(1<i>R</i>,2<i>S</i>,6<i>R</i>,7<i>R</i>)-4-{[(1<i>E</i>)-(2-Chlorophenyl)methylidene]amino}-1-isopropyl-7-methyl-4-azatricyclo[5.2.2.0^2,6^]undec-8-ene-3,5-dione
Acta Crystallographica Section E
2,011
67
5
o1251
10.1107/S1600536811013468
0.71073
MoKα
0.1265
0.0593
null
null
0.109
0.1289
null
null
null
null
null
0.993
null
null
has coordinates,has Fobs
Huang, Jian-Xin; Duan, Wen-Gui; Ma, Xian-Li; Mo, Qi-Jin; Liang, Yin-Hua <i>rac</i>-(1<i>R</i>,2<i>S</i>,6<i>R</i>,7<i>R</i>)-4-{[(1<i>E</i>)-(2-Chlorophenyl)methylidene]amino}-1-isopropyl-7-methyl-4-azatricyclo[5.2.2.0^2,6^]undec-8-ene-3,5-dione Acta Crystallographica Section E 67(5) (2011) o1251
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230062.cif $ #-------------------------------------------------------------------...
2,007,189
12.792
0.001
12.792
0.001
9.335
0.001
90
null
90
null
120
null
1,322.9
0.2
293
2
293
2
null
null
null
null
6
P 3 1 c
P 3 -2c
159
Tris(N,N'-diethylthiourea)silver(I) Iodide
- C15 H36 Ag I N6 S3 -
- C15 H36 Ag I N6 S3 -
- C30 H72 Ag2 I2 N12 S6 -
2
0.333333
MU1356
Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit
Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)
Acta Crystallographica Section C
1,998
54
4
453
456
10.1107/S0108270197016764
0.71073
MoKα
0.045
0.027
null
0.07
0.065
null
null
null
0.901
1.038
1.038
null
null
null
has coordinates,has disorder
Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I) Acta Crystallographica Section C 54(4) (1998) 453-456
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007189.cif $ #-------------------------------------------------------------------...
2,007,190
25.049
0.004
9.043
0.001
15.956
0.002
90
null
102.2
0.01
90
null
3,532.7
0.8
293
2
293
2
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C15 H13 Co N12 -
- C15 H13 Co N12 -
- C120 H104 Co8 N96 -
8
1
MU1361
Zhong-Ning Chen; Alvin Siu; Cheng-Yong Su; Ian Williams; Bei-Sheng Kang
<i>fac</i>-Triazido(2,2'-bipyridine-<i>N</i>,<i>N</i>')(pyridine-<i>N</i>)cobalt(III)
Acta Crystallographica Section C
1,998
54
4
479
481
10.1107/S0108270197016375
0.71073
MoKα
0.0547
0.0351
null
0.041
0.0357
null
null
null
1.029
1.083
1.083
null
null
null
has coordinates
Zhong-Ning Chen; Alvin Siu; Cheng-Yong Su; Ian Williams; Bei-Sheng Kang <i>fac</i>-Triazido(2,2'-bipyridine-<i>N</i>,<i>N</i>')(pyridine-<i>N</i>)cobalt(III) Acta Crystallographica Section C 54(4) (1998) 479-481
301,791
2025-08-18
23:15:30
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2,007,191
12.615
0.002
9.514
0.001
13.721
0.001
90
null
116.58
0.01
90
null
1,472.7
0.3
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Catena-(Propionato)(di-2-pyridylamine)-nitrato-copper(II)
- C13 H14 Cu N4 O5 -
- C13 H14 Cu N4 O5 -
- C52 H56 Cu4 N16 O20 -
4
1
MU1370
Sujittra Youngme; Chaveng Pakawatchai; Hoong-Kun Fun
<i>catena</i>-Poly[[(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>,<i>O</i>')copper(II)]-μ-nitrato-<i>O</i>:<i>O</i>']
Acta Crystallographica Section C
1,998
54
4
451
453
10.1107/S0108270197016405
0.71073
MoKα
0.0493
0.0323
null
0.0934
0.0876
null
null
null
0.985
1.104
1.104
null
null
null
has coordinates
Sujittra Youngme; Chaveng Pakawatchai; Hoong-Kun Fun <i>catena</i>-Poly[[(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>,<i>O</i>')copper(II)]-μ-nitrato-<i>O</i>:<i>O</i>'] Acta Crystallographica Section C 54(4) (1998) 451-453
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007191.cif $ #-------------------------------------------------------------------...
2,007,192
5.4759
0.0007
7.4682
0.0006
50.997
0.005
90
null
90
null
90
null
2,085.5
0.4
298
2
298
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C25 H27 Cl O3 -
- C25 H27 Cl O3 -
- C100 H108 Cl4 O12 -
4
1
NA1312
Kuhl, Alexander; Schollmeyer, Dieter; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang
17α-(4-Chlorobenzoyloxy)-3-methoxy-13α-gona-1,3,5(10)-triene
Acta Crystallographica Section C
1,998
54
4
521
523
10.1107/S010827019701737X
1.54178
CuKα
0.8
0.06
null
0.175
0.156
null
null
null
1.044
1.07
1.07
null
null
null
has coordinates,has Fobs
Kuhl, Alexander; Schollmeyer, Dieter; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang 17α-(4-Chlorobenzoyloxy)-3-methoxy-13α-gona-1,3,5(10)-triene Acta Crystallographica Section C 54(4) (1998) 521-523
301,791
2025-08-18
23:15:30
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2,018,068
11.736
0.003
6.801
0.0016
12.793
0.003
90
null
102.686
0.002
90
null
996.2
0.4
296
2
296
2
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Poly[diaqua-μ~4~-sulfato-di-μ~4~-sulfito-didysprosium(III)]
- Dy2 H4 O12 S3 -
- Dy2 H4 O12 S3 -
- Dy8 H16 O48 S12 -
4
0.5
KU3040
Zhang, Zai-Chao; Wang, Jia-Hong; Zhao, Pu-Su
Dy~2~(SO~3~)~2~(SO~4~)(H~2~O)~2~: the first lanthanide mixed sulfate‒sulfite inorganic compound
Acta Crystallographica Section C
2,011
67
5
i27
i29
10.1107/S0108270111009048
0.71073
MoKα
0.0264
0.022
null
null
0.0471
0.0487
null
null
null
null
null
1.086
null
null
has coordinates,has Fobs
Zhang, Zai-Chao; Wang, Jia-Hong; Zhao, Pu-Su Dy~2~(SO~3~)~2~(SO~4~)(H~2~O)~2~: the first lanthanide mixed sulfate‒sulfite inorganic compound Acta Crystallographica Section C 67(5) (2011) i27-i29
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/2/01/80/2018068.cif $ #-------------------------------------------------------------------...
2,007,193
9.345
0.002
14.683
0.004
11.244
0.003
90
null
93.07
0.02
90
null
1,540.6
0.7
292
null
292
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
Magnesium sulfate tetraurea monohydrate
- C4 H18 Mg N8 O9 S -
- C4 H18 Mg N8 O9 S -
- C16 H72 Mg4 N32 O36 S4 -
4
1
NA1321
Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova
Magnesium Sulfate Tetraurea Monohydrate
Acta Crystallographica Section C
1,998
54
4
456
458
10.1107/S0108270197012912
0.71073
MoKα
null
0.03
null
null
null
0.047
null
null
null
null
null
0.966
null
null
has coordinates
Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova Magnesium Sulfate Tetraurea Monohydrate Acta Crystallographica Section C 54(4) (1998) 456-458
191,097
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-30 16:25:52 +0200 (Mon, 30 Jan 2017) $ #$Revision: 191097 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007193.cif $ #-------------------------------------------------------------------...
2,007,194
12.643
0.001
12.643
0.001
12.643
0.001
90
null
90
null
90
null
2,020.9
0.3
297
2
297
2
null
null
null
null
3
P m -3
-P 2 2 3
200
α-(AlMnSi)
α-(AlMnSi)
- Al4 Mn1.01 Si0.74 -
- Al4.0125 Mn Si0.7375 -
- Al96.3 Mn24 Si17.7 -
24
1
OH1107
Sugiyama, Kazumasa; Kaji, Nobutaka; Hiraga, Kenji
Re-Refinement of α-(AlMnSi)
Acta Crystallographica Section C
1,998
54
4
445
447
10.1107/S0108270197015989
0.71069
MoKα
0.066
0.031
null
0.062
0.057
null
null
null
0.959
1.09
1.09
null
null
null
has coordinates,has Fobs
Sugiyama, Kazumasa; Kaji, Nobutaka; Hiraga, Kenji Re-Refinement of α-(AlMnSi) Acta Crystallographica Section C 54(4) (1998) 445-447
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007194.cif $ #-------------------------------------------------------------------...
2,007,195
10.753
0.002
18.955
0.004
10.326
0.002
93.87
0.02
117.92
0.01
100.9
0.02
1,796.4
0.7
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
1,6-di(triphenylphosphine)-closo-decaborane
- C36 H38 B10 P2 -
- C36 H38 B10 P2 -
- C72 H76 B20 P4 -
2
1
QA0034
Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jin-De Wei; Zu-En Huang; Ruo-Shui Jin; Pei-Ju Zheng
A Neutral Triphenylphosphine-Substituted <i>closo</i>-Decaborane: 1,6-(PPh~3~)~2~B~10~H~8~
Acta Crystallographica Section C
1,998
54
4
IUC9800008
10.1107/S0108270198099764
0.71069
MoKα
null
0.0649
null
null
null
0.1799
null
null
null
null
null
0.984
null
null
has coordinates
Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jin-De Wei; Zu-En Huang; Ruo-Shui Jin; Pei-Ju Zheng A Neutral Triphenylphosphine-Substituted <i>closo</i>-Decaborane: 1,6-(PPh~3~)~2~B~10~H~8~ Acta Crystallographica Section C 54(4) (1998) IUC9800008
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007195.cif $ #-------------------------------------------------------------------...
2,007,196
12.1045
0.001
21.6675
0.0012
21.1669
0.0014
90
null
90
null
90
null
5,551.5
0.7
293
2
293
2
null
null
null
null
7
P c c n
-P 2ab 2ac
56
[tris(2-(2-methoxyethoxy)ethyl)amine]potassium hexaiodotetracuprate(I)
- C30 H66 Cu4 I6 K2 N2 O12 -
- C30 H66 Cu4 I5 K2 N2 O12 -
- C120 H264 Cu16 I20 K8 N8 O48 -
4
0.5
QB0033
Mague, Joel T.
Luminescent Cu^I^ Clusters. Bis({tris[2-(2-methoxyethoxy)ethyl]amine}potassium) Hexaiodotetracuprate(I)
Acta Crystallographica Section C
1,998
54
4
IUC9800010
10.1107/S0108270198099776
0.71073
MoKα
0.1039
0.0311
null
0.0931
null
0.0723
null
null
1.012
null
null
1.102
null
null
has coordinates,has disorder,has Fobs
Mague, Joel T. Luminescent Cu^I^ Clusters. Bis({tris[2-(2-methoxyethoxy)ethyl]amine}potassium) Hexaiodotetracuprate(I) Acta Crystallographica Section C 54(4) (1998) IUC9800010
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007196.cif $ #-------------------------------------------------------------------...
2,007,197
8.543
0.003
12.76
0.004
7.8
0.003
98.39
0.03
114.84
0.03
88.36
0.03
762.8
0.5
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C17 H10 F7 N O -
- C17 H10 F7 N O -
- C34 H20 F14 N2 O2 -
2
1
QB0034
Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.
The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one
Acta Crystallographica Section C
1,998
54
4
IUC9800009
10.1107/S0108270198099752
0.7107
MoKα
0.193
0.0587
null
0.1861
0.1354
null
null
null
0.978
1.133
1.133
null
null
null
has coordinates
Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J. The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one Acta Crystallographica Section C 54(4) (1998) IUC9800009
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007197.cif $ #-------------------------------------------------------------------...
2,230,061
18.6999
0.0009
5.6415
0.0003
28.4855
0.0014
90
null
94.498
0.001
90
null
2,995.8
0.3
296
2
296
2
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
<i>rac</i>-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7- tetrahydro-2<i>H</i>-indazole
- C17 H20 N2 O2 -
- C17 H20 N2 O2 -
- C136 H160 N16 O16 -
8
1
KP2321
Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.; Aliyev, Ilkin V.
<i>rac</i>-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2<i>H</i>-indazole
Acta Crystallographica Section E
2,011
67
5
o1127
10.1107/S1600536811013195
0.71073
MoKα
0.0546
0.045
null
null
0.1201
0.1287
null
null
null
null
null
1
null
null
has coordinates,has Fobs
Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.; Aliyev, Ilkin V. <i>rac</i>-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2<i>H</i>-indazole Acta Crystallographica Section E 67(5) (2011) o1127
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230061.cif $ #-------------------------------------------------------------------...
2,007,198
7.533
0.002
10.306
0.003
20.139
0.005
90
null
95.24
0.02
90
null
1,557
0.7
293
2
293
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C17 H10 F7 N O -
- C17 H10 F7 N O -
- C68 H40 F28 N4 O4 -
4
1
QB0034
Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.
The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one
Acta Crystallographica Section C
1,998
54
4
IUC9800009
10.1107/S0108270198099752
0.7107
MoKα
0.0796
0.0379
null
0.1268
0.0969
null
null
null
1.025
1.031
1.031
null
null
null
has coordinates
Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J. The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one Acta Crystallographica Section C 54(4) (1998) IUC9800009
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007198.cif $ #-------------------------------------------------------------------...
2,007,199
10.458
0.002
10.925
0.002
12.097
0.002
86.17
0.03
81.83
0.03
76.31
0.03
1,328.4
0.5
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C32 H16 I N8 Sb -
- C32 H16 I N8 Sb -
- C64 H32 I2 N16 Sb2 -
2
1
SK1152
Kubiak, Ryszard; Razik, Mariola
(Phthalocyaninato)antimony Iodide
Acta Crystallographica Section C
1,998
54
4
483
485
10.1107/S0108270197016867
0.71073
MoKα
0.0862
0.0387
null
0.1001
0.0859
null
null
null
0.985
1.081
1.081
null
null
null
has coordinates
Kubiak, Ryszard; Razik, Mariola (Phthalocyaninato)antimony Iodide Acta Crystallographica Section C 54(4) (1998) 483-485
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007199.cif $ #-------------------------------------------------------------------...
2,007,200
14.266
0.002
13.528
0.001
11.747
0.001
90
null
90
null
90
null
2,267.1
0.4
293
2
293
2
null
null
null
null
4
P n a 21
P 2c -2n
33
9-(4-DIMETHYLAMINOPHENYL) 3,4,6,9,10-HEXAHYDRO 2,2,8,8-TETRAMETHYL 1,8(2H,5H)-ACRIDINE DIONE
- C25 H32 N2 O2 -
- C25 H32 N2 O2 -
- C100 H128 N8 O8 -
4
1
VJ1060
V.K. Ganesh; D.Velmurugan; M.Bidya Sagar; P.Murugan
9-(4-Dimethylaminophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione
Acta Crystallographica Section C
1,998
54
4
557
559
10.1107/S0108270197016727
0.71073
MoKα
0.1029
0.0565
null
0.1507
0.1261
null
null
null
1.032
1.126
1.126
null
null
null
has coordinates
V.K. Ganesh; D.Velmurugan; M.Bidya Sagar; P.Murugan 9-(4-Dimethylaminophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione Acta Crystallographica Section C 54(4) (1998) 557-559
301,791
2025-08-18
23:15:30
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007200.cif $ #-------------------------------------------------------------------...
2,007,201
5.4376
0.0005
7.2577
0.0008
22.773
0.002
90
null
90
null
90
null
898.72
0.15
293
2
293
2
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
D-PHENYLGLYCINE HYDROCHLORIDE
D-α-Aminophenyl acetic acid hydrochloride
- C8 H10 Cl N O2 -
- C8 H10 Cl N O2 -
- C32 H40 Cl4 N4 O8 -
4
1
VJ1074
Ravichandran, S.; Dattagupta, J. K.; Chakrabarti, Chandana
<small>D</small>-Phenylglycine Hydrochloride
Acta Crystallographica Section C
1,998
54
4
499
501
10.1107/S0108270197014674
0.71073
MoKα
0.045
0.035
null
0.127
0.106
null
null
null
0.768
0.747
0.747
null
null
null
has coordinates
Ravichandran, S.; Dattagupta, J. K.; Chakrabarti, Chandana <small>D</small>-Phenylglycine Hydrochloride Acta Crystallographica Section C 54(4) (1998) 499-501
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007201.cif $ #-------------------------------------------------------------------...
2,007,202
9.8899
0.0013
10.1168
0.001
10.5673
0.0009
86.702
0.009
88.222
0.011
72.206
0.009
1,004.95
0.19
293
2
null
null
null
null
null
null
4
P -1
-P 1
2
8-hydroxyquinoline salicylate-salicylic acid complex
- C23 H19 N O7 -
- C23 H19 N O7 -
- C46 H38 N2 O14 -
2
1
VJ1075
Jebamony, Justin Robert; Thomas Muthiah, Packianathan
8-Hydroxyquinolinium–Salicylate–Salicylic Acid (1/1/1) Complex, C~9~H~8~NO^+^.C~7~H~5~O~3~^{-^}.C~7~H~6~O~3~
Acta Crystallographica Section C
1,998
54
4
539
540
10.1107/S0108270197013930
0.71069
MoKα
null
0.0313
null
null
null
0.009
null
null
null
null
null
1.044
null
null
has coordinates
Jebamony, Justin Robert; Thomas Muthiah, Packianathan 8-Hydroxyquinolinium–Salicylate–Salicylic Acid (1/1/1) Complex, C~9~H~8~NO^+^.C~7~H~5~O~3~^{-^}.C~7~H~6~O~3~ Acta Crystallographica Section C 54(4) (1998) 539-540
301,791
2025-08-18
23:15:31
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2,007,203
11.188
0.004
13.672
0.009
27.352
0.002
90
null
90
null
90
null
4,184
3
293
2
293
2
null
null
null
null
4
P b c a
-P 2ac 2ab
61
- C28 H20 N2 O -
- C28 H20 N2 O -
- C224 H160 N16 O8 -
8
1
AB1463
Banumathi, Sankaran; Velmurugan, Devadasan; Raghunathan, Raghavachary; Shanmuga sundaram, Muthian
1',3'-Diphenylspiro[anthracene-9(10i H),5'(4'<i>H</i>)-pyrazol]-10-one
Acta Crystallographica Section C
1,998
54
5
629
630
10.1107/S0108270197017411
1.5418
CuKα
0.0714
0.059
null
0.1735
0.1634
null
null
null
1.103
1.183
1.183
null
null
null
has coordinates
Banumathi, Sankaran; Velmurugan, Devadasan; Raghunathan, Raghavachary; Shanmuga sundaram, Muthian 1',3'-Diphenylspiro[anthracene-9(10i H),5'(4'<i>H</i>)-pyrazol]-10-one Acta Crystallographica Section C 54(5) (1998) 629-630
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007203.cif $ #-------------------------------------------------------------------...
2,230,060
8.8866
0.0004
14.6386
0.0007
9.186
0.0004
90
null
91.618
0.001
90
null
1,194.51
0.09
296
2
296
2
null
null
null
null
5
P 1 21 1
P 2yb
4
(8<i>S</i>,9<i>S</i>,10<i>R</i>)-4-(4-Chlorobenzyloxy)-7,8-didehydro-3,7- dimethoxy-17-methylmorphinan-6-one monohydrate
- C26 H30 Cl N O5 -
- C26 H30 Cl N O5 -
- C52 H60 Cl2 N2 O10 -
2
1
KP2320
Zheng, Xing-Liang; Chen, Shu-Jun; Jiang, Ning-Fei; Zhan, Sue-Hui
(8<i>S</i>,9<i>S</i>,10<i>R</i>)-4-(4-Chlorobenzyloxy)-7,8-didehydro-3,7-dimethoxy-17-methylmorphinan-6-one monohydrate
Acta Crystallographica Section E
2,011
67
5
o1190
10.1107/S1600536811013973
0.71073
MoKα
0.0322
0.0299
null
null
0.0796
0.082
null
null
null
null
null
1.045
null
null
has coordinates,has Fobs
Zheng, Xing-Liang; Chen, Shu-Jun; Jiang, Ning-Fei; Zhan, Sue-Hui (8<i>S</i>,9<i>S</i>,10<i>R</i>)-4-(4-Chlorobenzyloxy)-7,8-didehydro-3,7-dimethoxy-17-methylmorphinan-6-one monohydrate Acta Crystallographica Section E 67(5) (2011) o1190
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230060.cif $ #-------------------------------------------------------------------...
2,007,204
9.346
0.001
14.441
0.001
24.524
0.002
90
0.01
97.13
0.01
94.55
0.01
3,273.8
0.5
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
1-benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1H-[1,3]oxazino[3,2-a] [1,5]benzodiazepin-1-one
- C43 H32 N2 O3 -
- C43 H32 N2 O3 -
- C172 H128 N8 O12 -
4
2
AB1494
Xu, Jiaxi; Jin, Sheng; Zhang, Zeying; Mak, Thomas C. W.
7-Benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1<i>H</i>-[1,3]oxazino[3,2-<i>a</i>][1,5]benzodiazepin-1-one
Acta Crystallographica Section C
1,998
54
5
666
668
10.1107/S010827019701740X
0.71073
MoKα
0.2057
0.0451
null
0.179
0.113
null
null
null
0.973
1.163
1.163
null
null
null
has coordinates
Xu, Jiaxi; Jin, Sheng; Zhang, Zeying; Mak, Thomas C. W. 7-Benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1<i>H</i>-[1,3]oxazino[3,2-<i>a</i>][1,5]benzodiazepin-1-one Acta Crystallographica Section C 54(5) (1998) 666-668
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007204.cif $ #-------------------------------------------------------------------...
2,007,205
7.0939
0.0006
9.2625
0.0008
11.657
0.001
90
null
97.672
0.001
90
null
759.09
0.11
150
2
150
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Acetaminophen
4-acetaminophenol
- C8 H9 N O2 -
- C8 H9 N O2 -
- C32 H36 N4 O8 -
4
1
AV1018
Dmitry Yu. Naumov; Marina A. Vasilchenko; Judith A. K. Howard
The Monoclinic Form of Acetaminophen at 150K
Acta Crystallographica Section C
1,998
54
5
653
655
10.1107/S0108270197018386
0.71073
MoKα
0.0671
0.0555
null
0.1119
0.1069
null
null
null
1.185
1.209
1.209
null
null
null
has coordinates,has Fobs
Dmitry Yu. Naumov; Marina A. Vasilchenko; Judith A. K. Howard The Monoclinic Form of Acetaminophen at 150K Acta Crystallographica Section C 54(5) (1998) 653-655
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007205.cif $ #-------------------------------------------------------------------...
2,007,206
26.831
0.002
15.2944
0.0007
24.952
0.001
90
null
94
0.01
90
null
10,214.5
1
296
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C18 H12 Cl12 O2 -
- C18 H12 Cl12 O2 -
- C288 H192 Cl192 O32 -
16
2
BK1349
Garcia, J. Gabriel; Fronczek, Frank R.
<i>endo</i>-<i>endo</i>-<i>anti</i> Diels–Alder Diadduct of Hexachlorocyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene
Acta Crystallographica Section C
1,998
54
5
645
647
10.1107/S0108270197014005
0.71073
MoKα
null
0.057
null
null
0.039
null
null
null
null
1.243
1.243
null
null
null
has coordinates
Garcia, J. Gabriel; Fronczek, Frank R. <i>endo</i>-<i>endo</i>-<i>anti</i> Diels–Alder Diadduct of Hexachlorocyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene Acta Crystallographica Section C 54(5) (1998) 645-647
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007206.cif $ #-------------------------------------------------------------------...
2,007,207
9.295
0.001
9.295
0.001
17.689
0.003
90
null
90
null
120
null
1,323.5
0.3
293
2
293
2
null
null
null
null
5
P -6 2 c
P -6c -2c
190
Tri-aquo-tris-(oxydiacetate) (europium(III) lanthanum(III))-pentahydrate
- C12 H28 Eu La O23 -
- C12 H12 Eu La O22.98 -
- C24 H24 Eu2 La2 O45.96 -
2
0.166667
BK1364
Baggio, Ricardo; Garland, Maria Teresa; Perec, Mireille
Triaquatris(μ-oxydiacetato)europium(III)lanthanum(III) Pentahydrate
Acta Crystallographica Section C
1,998
54
5
591
594
10.1107/S0108270197017356
0.71073
MoKα
0.0267
0.023
null
0.065
0.0632
null
null
null
1.09
1.11
1.11
null
null
null
has coordinates
Baggio, Ricardo; Garland, Maria Teresa; Perec, Mireille Triaquatris(μ-oxydiacetato)europium(III)lanthanum(III) Pentahydrate Acta Crystallographica Section C 54(5) (1998) 591-594
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007207.cif $ #-------------------------------------------------------------------...
2,007,208
10.309
0.002
11.451
0.002
13.361
0.003
96.706
0.002
93.109
0.003
105.188
0.002
1,505.8
0.5
295
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C32 H30 N6 Ni O6 -
- C32 H30 N6 Ni O6 -
- C64 H60 N12 Ni2 O12 -
2
1
BM1157
Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Bas̨gut, Özlem
{2-[(2-Hydroxy-5-methylphenyl)iminomethyl]-4,6-dinitrophenolato(2 –)-<i>O</i>,<i>N</i>,<i>O</i>'}tris(3-methylpyridine-<i>N</i>)nickel(II)
Acta Crystallographica Section C
1,998
54
5
623
625
10.1107/S0108270197016545
0.71069
MoKα
null
0.042
null
null
0.047
null
null
null
null
0.83
0.83
null
null
null
has coordinates
Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Bas̨gut, Özlem {2-[(2-Hydroxy-5-methylphenyl)iminomethyl]-4,6-dinitrophenolato(2 –)-<i>O</i>,<i>N</i>,<i>O</i>'}tris(3-methylpyridine-<i>N</i>)nickel(II) Acta Crystallographica Section C 54(5) (1998) 623-625
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007208.cif $ #-------------------------------------------------------------------...
2,230,059
7.1294
0.0014
35.469
0.007
9.0211
0.0018
90
null
97.8
0.03
90
null
2,260.1
0.8
293
2
293
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
(<i>Z</i>)-<i>N</i>-{3-[(6-Chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide
- C10 H9 Cl N4 S -
- C10 H9 Cl N4 S -
- C80 H72 Cl8 N32 S8 -
8
2
KP2319
Gao, Jin-Sheng; Qiao, Jun; Yu, Ying-Hui; Hou, Guang-Feng
(<i>Z</i>)-<i>N</i>-{3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
Acta Crystallographica Section E
2,011
67
5
o1140
10.1107/S1600536811013316
0.71073
MoKα
0.0721
0.0481
null
null
0.1228
0.1365
null
null
null
null
null
1.077
null
null
has coordinates,has Fobs
Gao, Jin-Sheng; Qiao, Jun; Yu, Ying-Hui; Hou, Guang-Feng (<i>Z</i>)-<i>N</i>-{3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide Acta Crystallographica Section E 67(5) (2011) o1140
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230059.cif $ #-------------------------------------------------------------------...
2,007,209
9.999
0.001
13.867
0.002
8.911
0.004
90.81
0.02
91.18
0.02
104.91
0.01
1,193.5
0.6
288
2
288
2
null
null
null
null
5
P -1
-P 1
2
- C18 H35 N7 Ni S2 -
- C18 H35 N7 Ni S2 -
- C36 H70 N14 Ni2 S4 -
2
1
BM1168
Choi, Ki Young; Kim, Dong Won; Kim, Kyung-Han; Oh, Mi-Ran; Suh, Il-Hwan
Co-Crystallized (Macrocyclic tetraamine)bis(thiocyanato-<i>N</i>)nickel(II) Complexes
Acta Crystallographica Section C
1,998
54
5
627
628
10.1107/S0108270197017368
0.71069
MoKα
0.1058
0.0583
null
0.1073
0.0936
null
null
null
1.27
1.438
1.438
null
null
null
has coordinates
Choi, Ki Young; Kim, Dong Won; Kim, Kyung-Han; Oh, Mi-Ran; Suh, Il-Hwan Co-Crystallized (Macrocyclic tetraamine)bis(thiocyanato-<i>N</i>)nickel(II) Complexes Acta Crystallographica Section C 54(5) (1998) 627-628
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007209.cif $ #-------------------------------------------------------------------...
2,007,210
13.436
0.002
14.584
0.004
14.327
0.003
90
null
104.891
0.015
90
null
2,713.1
1
213
2
213
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
5,15-Bis(3,5-di-tert-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin
- C58 H70 N4 Si2 -
- C58 H70 N4 Si2 -
- C116 H140 N8 Si4 -
2
0.5
BM1176
Huuskonen, S.-P. Juhani; Wilson, G. Scott; Anderson, Harry L.
5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin
Acta Crystallographica Section C
1,998
54
5
662
664
10.1107/S0108270197017162
1.54184
CuKα
0.0466
0.0409
null
null
0.1155
0.1198
null
null
null
null
null
1.055
null
null
has coordinates
Huuskonen, S.-P. Juhani; Wilson, G. Scott; Anderson, Harry L. 5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin Acta Crystallographica Section C 54(5) (1998) 662-664
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007210.cif $ #-------------------------------------------------------------------...
2,007,211
19.639
0.003
13.143
0.002
15.1992
0.0014
90
null
101.845
0.013
90
null
3,839.6
0.9
173
2
173
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
Tetrachloro-bis[3-(2-pyridyl)pyrazolato]-bis(N,N'-dimethyformamide) diindium(III) bis(N,N'-dimethyformamide) solvate
- C28 H40 Cl4 In2 N10 O4 -
- C28 H40 Cl4 In2 N10 O4 -
- C112 H160 Cl16 In8 N40 O16 -
4
0.5
BM1206
Ward, Michael D.; Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.
A Dinuclear Indium(III) Complex with Two Pyrazolate Bridging Ligands
Acta Crystallographica Section C
1,998
54
5
601
603
10.1107/S0108270197019185
0.71073
MoKα
0.0428
0.0275
null
0.0696
0.0643
null
null
null
1.029
1.074
1.074
null
null
null
has coordinates
Ward, Michael D.; Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A. A Dinuclear Indium(III) Complex with Two Pyrazolate Bridging Ligands Acta Crystallographica Section C 54(5) (1998) 601-603
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007211.cif $ #-------------------------------------------------------------------...
2,007,212
8.9913
0.0005
13.1001
0.001
16.6041
0.001
90
null
90
null
90
null
1,955.7
0.2
293
1
293
2
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
2-deoxy-3epiryanodol
- C20 H32 O7 -
- C20 H32 O7 -
- C80 H128 O28 -
4
1
BS1023
Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C
1,998
54
5
687
693
10.1107/S0108270197016843
1.54184
CuKα
0.0313
0.0304
null
0.0842
0.0832
null
null
null
1.052
1.059
1.059
null
null
null
has coordinates,has Fobs
Drouin, Marc; Dodier, Marco; Ruest, Luc 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives Acta Crystallographica Section C 54(5) (1998) 687-693
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007212.cif $ #-------------------------------------------------------------------...
2,007,213
8.914
0.0005
18.1678
0.0013
25.326
0.002
90
null
90
null
90
null
4,101.5
0.5
293
2
293
2
null
null
null
null
3
I 2 2 2
I 2 2
23
2,3-dideoxy-2,3-dihydroryanodol
- C20 H35 O7.5 -
- C20 H34 O7.429 -
- C160 H272 O59.432 -
8
1
BS1023
Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C
1,998
54
5
687
693
10.1107/S0108270197016843
1.54184
CuKα
0.043
0.039
null
0.108
0.1039
null
null
null
1.024
1.035
1.035
null
null
null
has coordinates,has Fobs
Drouin, Marc; Dodier, Marco; Ruest, Luc 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives Acta Crystallographica Section C 54(5) (1998) 687-693
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007213.cif $ #-------------------------------------------------------------------...
2,230,058
6.2629
0.0004
8.1515
0.0005
11.7761
0.0007
80.687
0.003
82.248
0.003
77.456
0.003
576
0.06
150
null
150
null
null
null
null
null
8
P -1
-P 1
2
<i>trans</i>-Dichloridobis[(pyridin-4-yl)boronic acid-κ<i>N</i>]palladium(II) dimethyl sulfoxide disolvate
- C14 H24 B2 Cl2 N2 O6 Pd S2 -
- C14 H24 B2 Cl2 N2 O6 Pd S2 -
- C14 H24 B2 Cl2 N2 O6 Pd S2 -
1
0.5
KP2316
Duong, Adam; Wuest, James D.; Maris, Thierry
<i>trans</i>-Dichloridobis[(pyridin-4-yl)boronic acid-κ<i>N</i>]palladium(II) dimethyl sulfoxide disolvate
Acta Crystallographica Section E
2,011
67
5
m518
10.1107/S1600536811010713
1.54178
CuKα
0.0331
0.0308
null
null
0.081
0.0819
null
null
null
null
null
1.074
null
null
has coordinates,has Fobs
Duong, Adam; Wuest, James D.; Maris, Thierry <i>trans</i>-Dichloridobis[(pyridin-4-yl)boronic acid-κ<i>N</i>]palladium(II) dimethyl sulfoxide disolvate Acta Crystallographica Section E 67(5) (2011) m518
176,798
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $ #$Revision: 176798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230058.cif $ #-------------------------------------------------------------------...
2,007,214
9.7509
0.0005
10.3005
0.0008
19.5609
0.0013
90
null
101.937
0.005
90
null
1,922.2
0.2
293
2
293
2
null
null
null
null
3
P 1 21 1
P 2yb
4
- C40 H56 O12 -
- C40 H56 O12 -
- C80 H112 O24 -
2
1
BS1023
Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C
1,998
54
5
687
693
10.1107/S0108270197016843
0.71073
Molybdenum
0.0549
0.0379
null
0.0939
0.0829
null
null
null
1.036
1.082
1.082
null
null
null
has coordinates,has Fobs
Drouin, Marc; Dodier, Marco; Ruest, Luc 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives Acta Crystallographica Section C 54(5) (1998) 687-693
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007214.cif $ #-------------------------------------------------------------------...
2,007,215
10.321
0.003
13.917
0.005
29.196
0.004
90
null
90
null
90
null
4,194
2
293
null
293
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
cinnzeylanol
- C40 H74.3 O19.15 -
- C40 H64 O19.154 -
- C160 H256 O76.616 -
4
1
BS1023
Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C
1,998
54
5
687
693
10.1107/S0108270197016843
0.71073
MolybdenumKα
0.0855
0.0617
null
0.1519
0.14
null
null
null
1.038
1.143
1.143
null
null
null
has coordinates,has Fobs
Drouin, Marc; Dodier, Marco; Ruest, Luc 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives Acta Crystallographica Section C 54(5) (1998) 687-693
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007215.cif $ #-------------------------------------------------------------------...
2,007,216
9.0121
0.001
18.08
0.004
25.476
0.003
90
null
90
null
90
null
4,151
1.1
293
null
293
null
null
null
null
null
3
P 2 21 21
P 2bc 2
18
2-deoxyryanodol
- C20 H34.5 O8.25 -
- C20 H34.5 O8.125 -
- C160 H276 O65 -
8
2
BS1023
Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C
1,998
54
5
687
693
10.1107/S0108270197016843
1.54184
CopperKα
0.0611
0.0553
null
0.1585
0.1509
null
null
null
1.041
1.075
1.075
null
null
null
has coordinates
Drouin, Marc; Dodier, Marco; Ruest, Luc 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives Acta Crystallographica Section C 54(5) (1998) 687-693
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007216.cif $ #-------------------------------------------------------------------...
2,007,217
12.178
0.003
13.885
0.003
7.143
0.003
90
null
90
null
90
null
1,207.8
0.6
293
2
293
2
null
null
null
null
6
P n m a
-P 2ac 2n
62
Diaquacobalt Tetracyanonickelate Tetrahydrate
- C4 H12 Co N4 Ni O6 -
- C4 H12 Co N4 Ni O6 -
- C16 H48 Co4 N16 Ni4 O24 -
4
0.5
BS1042
Niu, Tianyan; Crisci, Gerardo; Lu, Jian; Jacobson, Allan J.
Diaquacobalt Tetracyanonickelate Tetrahydrate
Acta Crystallographica Section C
1,998
54
5
565
567
10.1107/S0108270197018003
0.71073
MoKα
0.0463
0.0362
null
0.1069
0.1028
null
null
null
1.061
1.124
1.124
null
null
null
has coordinates
Niu, Tianyan; Crisci, Gerardo; Lu, Jian; Jacobson, Allan J. Diaquacobalt Tetracyanonickelate Tetrahydrate Acta Crystallographica Section C 54(5) (1998) 565-567
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007217.cif $ #-------------------------------------------------------------------...
2,007,218
6.775
0.005
11.146
0.003
7.055
0.004
90
null
111.72
0.06
90
null
494.9
0.5
150
2
150
2
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
6,6'-dimethyl-2,2'-bipyridyl
6,6'-dimethyl-2,2'-bipyridyl
- C12 H12 N2 -
- C12 H12 N2 -
- C24 H24 N4 -
2
0.5
CF1167
Coles, Simon J.; Hursthouse, Michael B.; Sengül, Abdurrahman; Gillard, Robert D.
6,6'-Dimethyl-2,2'-bipyridyl
Acta Crystallographica Section C
1,998
54
5
661
662
10.1107/S0108270197019872
0.71069
MoKα
0.058
0.051
null
0.135
0.132
null
null
null
1.065
1.158
1.158
null
null
null
has coordinates
Coles, Simon J.; Hursthouse, Michael B.; Sengül, Abdurrahman; Gillard, Robert D. 6,6'-Dimethyl-2,2'-bipyridyl Acta Crystallographica Section C 54(5) (1998) 661-662
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007218.cif $ #-------------------------------------------------------------------...
2,230,057
8.0953
0.001
25.151
0.003
8.884
0.0011
90
null
98.01
0.001
90
null
1,791.2
0.4
296
2
296
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
4-(4-Methylbenzenesulfonamido)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate
- C17 H20 N2 O5 S -
- C17 H20 N2 O5 S -
- C68 H80 N8 O20 S4 -
4
1
KP2315
Huang, Miao-Ling; Lin, Zhi-Yang
4-(4-Methylbenzenesulfonamido)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate
Acta Crystallographica Section E
2,011
67
5
o1062
10.1107/S1600536811011949
0.71073
MoKα
0.0546
0.0391
null
null
0.1008
0.1108
null
null
null
null
null
1.041
null
null
has coordinates,has Fobs
Huang, Miao-Ling; Lin, Zhi-Yang 4-(4-Methylbenzenesulfonamido)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate Acta Crystallographica Section E 67(5) (2011) o1062
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230057.cif $ #-------------------------------------------------------------------...
2,007,219
6.704
0.001
10.156
0.002
13.321
0.002
91.09
0.02
95.49
0.02
108.24
0.02
856.3
0.3
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
- C22 H24 N2 O -
- C22 H24 N2 O -
- C44 H48 N4 O2 -
2
1
CF1201
Chamontin, Karine; Lokshin, Vladimir; Guglielmetti, Robert; Samat, André; Pèpe, Gérard
4-Methylspiro[4-azahomoadamantane-5,3'-[3'<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine], a New Photochromic Spirooxazine
Acta Crystallographica Section C
1,998
54
5
670
672
10.1107/S0108270197017447
0.71069
MoKα
0.0444
0.0441
null
0.0888
0.0887
null
null
null
1.011
1.069
1.069
null
null
null
has coordinates
Chamontin, Karine; Lokshin, Vladimir; Guglielmetti, Robert; Samat, André; Pèpe, Gérard 4-Methylspiro[4-azahomoadamantane-5,3'-[3'<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine], a New Photochromic Spirooxazine Acta Crystallographica Section C 54(5) (1998) 670-672
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007219.cif $ #-------------------------------------------------------------------...
2,007,220
17.765
0.001
26.708
0.002
7.6153
0.0009
90
null
99.46
0.01
90
null
3,564.1
0.5
293
2
293
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C14 H13 Fe K2 N6 O2.5 -
- C14 H13 Fe K2 N6 O2.5 -
- C112 H104 Fe8 K16 N48 O20 -
8
2
CF1210
Nieuwenhuyzen, M.; Bertram, B.; Gallagher, J. F.; Vos, J. G.
Dipotassium (2,2'-Bipyridyl-<i>N</i>,<i>N</i>')tetracyanoferrate(II) 2.5-Hydrate, K~2~[Fe(bpy)(CN)~4~].2.5H~2~O
Acta Crystallographica Section C
1,998
54
5
603
606
10.1107/S0108270197018039
0.71073
MoKα
0.086
0.045
null
0.11
0.093
null
null
null
1.049
1.121
1.121
null
null
null
has coordinates
Nieuwenhuyzen, M.; Bertram, B.; Gallagher, J. F.; Vos, J. G. Dipotassium (2,2'-Bipyridyl-<i>N</i>,<i>N</i>')tetracyanoferrate(II) 2.5-Hydrate, K~2~[Fe(bpy)(CN)~4~].2.5H~2~O Acta Crystallographica Section C 54(5) (1998) 603-606
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007220.cif $ #-------------------------------------------------------------------...
2,007,221
13.714
0.004
10.159
0.003
14.006
0.002
90
null
118.1
0.02
90
null
1,721.3
0.8
150
2
150
2
null
null
null
null
4
P 1 a 1
P -2ya
7
dibromotriphenylantimony(V)
- C18 H15 Br2 Sb -
- C18 H15 Br2 Sb -
- C72 H60 Br8 Sb4 -
4
2
CF1211
Webster, Michael
Dibromotriphenylantimony(V), a Second Polymorph
Acta Crystallographica Section C
1,998
54
5
570
572
10.1107/S0108270197018040
0.71069
MoKα
0.088
0.051
null
null
null
0.148
null
null
null
null
null
1.04
null
null
has coordinates
Webster, Michael Dibromotriphenylantimony(V), a Second Polymorph Acta Crystallographica Section C 54(5) (1998) 570-572
201,955
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007221.cif $ #-------------------------------------------------------------------...
2,007,222
14.435
0.002
18.025
0.002
8.5494
0.0009
90
0.01
90
0.01
90
0.01
2,224.5
0.5
293
2
293
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
Adenosine 5'-carboxylic acid
- C10 H11 N5 O5 -
- C10 H11 N5 O5 -
- C80 H88 N40 O40 -
8
2
DE1070
G. Sreekanta Padiyar; T. P. Seshadri
Adenosine-5'-carboxylic Acid
Acta Crystallographica Section C
1,998
54
5
647
649
10.1107/S0108270197017678
0.71067
MoKα
0.07
0.0379
null
0.1124
0.0975
null
null
null
1.023
1.081
1.081
null
null
null
has coordinates
G. Sreekanta Padiyar; T. P. Seshadri Adenosine-5'-carboxylic Acid Acta Crystallographica Section C 54(5) (1998) 647-649
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007222.cif $ #-------------------------------------------------------------------...
2,007,223
13.102
0.003
11.57
0.002
19.345
0.003
90
null
101.126
0.012
90
null
2,877.4
0.9
170
null
170
null
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C52 H40 D6 N2 O19 P2 W6 -
- C52 H40 D6 N2 O19 P2 W6 -
- C104 H80 D12 N4 O38 P4 W12 -
2
0.5
FG1378
Parvez, Masood; Boorman, P. Michael; Langdon, Naomi
Tetraphenylphosphonium Hexatungstate(VI) Acetonitrile Solvate
Acta Crystallographica Section C
1,998
54
5
608
609
10.1107/S0108270197016946
0.71069
MoKα
0.122
0.035
null
0.028
0.022
null
null
null
1.22
1.31
1.31
null
null
null
has coordinates
Parvez, Masood; Boorman, P. Michael; Langdon, Naomi Tetraphenylphosphonium Hexatungstate(VI) Acetonitrile Solvate Acta Crystallographica Section C 54(5) (1998) 608-609
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007223.cif $ #-------------------------------------------------------------------...
2,007,224
11.598
0.001
10.959
0.001
12.148
0.001
90
0.01
117.41
0.01
90
0.01
1,370.7
0.2
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Crystal structures of three diphenylsulphones
- C14 H13 N O4 S -
- C14 H13 N O4 S -
- C56 H52 N4 O16 S4 -
4
1
FR1058
Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.
Three Diphenyl Sulfones
Acta Crystallographica Section C
1,998
54
5
630
633
10.1107/S0108270197016831
1.54178
CuKα
0.0399
0.037
null
0.113
0.1079
null
null
null
0.613
0.611
0.611
null
null
null
has coordinates
Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R. Three Diphenyl Sulfones Acta Crystallographica Section C 54(5) (1998) 630-633
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007224.cif $ #-------------------------------------------------------------------...
2,230,056
25.621
0.005
9.886
0.002
9.874
0.002
90
null
97.32
0.03
90
null
2,480.6
0.9
291
2
291
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
<i>rac</i>-<i>tert</i>-Butyl 2-{5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-2,4-dioxo- 1,3-thiazolidin-3-yl}acetate
- C24 H29 N3 O5 S -
- C24 H29 N3 O5 S -
- C96 H116 N12 O20 S4 -
4
1
KP2314
Hu, Sixing; Liang, Guojuan; Fang, Dashu; Gan, Yongjun; Hu, Xiangnan
<i>rac</i>-<i>tert</i>-Butyl 2-{5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Acta Crystallographica Section E
2,011
67
5
o1075
10.1107/S1600536811012177
0.71073
MoKα
0.1435
0.0611
null
null
0.1322
0.162
null
null
null
null
null
1.007
null
null
has coordinates,has Fobs
Hu, Sixing; Liang, Guojuan; Fang, Dashu; Gan, Yongjun; Hu, Xiangnan <i>rac</i>-<i>tert</i>-Butyl 2-{5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate Acta Crystallographica Section E 67(5) (2011) o1075
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230056.cif $ #-------------------------------------------------------------------...
2,007,225
20.339
0.007
11.024
0.004
15.22
0.007
90
null
126.8
0.02
90
null
2,733
2
293
2
293
2
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Crystal structures of three diphenylsulphones
- C15 H16 O2 S -
- C15 H16 O2 S -
- C120 H128 O16 S8 -
8
1
FR1058
Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.
Three Diphenyl Sulfones
Acta Crystallographica Section C
1,998
54
5
630
633
10.1107/S0108270197016831
1.54178
CuKα
0.0508
0.045
null
0.133
0.1246
null
null
null
0.921
0.924
0.924
null
null
null
has coordinates
Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R. Three Diphenyl Sulfones Acta Crystallographica Section C 54(5) (1998) 630-633
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007225.cif $ #-------------------------------------------------------------------...
2,007,226
12.36
0.005
8.246
0.004
11.615
0.007
90
null
103.74
0.03
90
null
1,149.9
1
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
Crystal structures of three diphenylsulphones
- C13 H12 O2 S -
- C13 H12 O2 S -
- C52 H48 O8 S4 -
4
1
FR1058
Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.
Three Diphenyl Sulfones
Acta Crystallographica Section C
1,998
54
5
630
633
10.1107/S0108270197016831
1.54178
CuKα
0.0585
0.0568
null
0.1623
0.1602
null
null
null
1.186
1.204
1.204
null
null
null
has coordinates
Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R. Three Diphenyl Sulfones Acta Crystallographica Section C 54(5) (1998) 630-633
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007226.cif $ #-------------------------------------------------------------------...
2,007,227
6.1119
0.0012
11.047
0.002
6.7488
0.0013
90
null
101.23
0.03
90
null
446.94
0.15
208
2
208
2
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
- C9 H6 O3 W -
- C9 H6 O3 W -
- C18 H12 O6 W2 -
2
0.5
FR1065
Oh, Jane M.; Geib, Steven J.; Cooper, N. John
The Final Member of an Isologous Series of Arenetricarbonyl Complexes: [W(η^6^-C~6~H~6~)(CO)~3~]
Acta Crystallographica Section C
1,998
54
5
581
583
10.1107/S0108270197009955
0.71073
MoKα
0.0283
0.0257
null
0.0738
0.0713
null
null
null
1.259
1.262
1.262
null
null
null
has coordinates
Oh, Jane M.; Geib, Steven J.; Cooper, N. John The Final Member of an Isologous Series of Arenetricarbonyl Complexes: [W(η^6^-C~6~H~6~)(CO)~3~] Acta Crystallographica Section C 54(5) (1998) 581-583
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007227.cif $ #-------------------------------------------------------------------...
2,007,228
13.398
0.003
13.988
0.003
13.674
0.003
90
null
104.24
0.02
90
null
2,483.9
1
293
2
293
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
zinc(II)tepa bisperchlorate
- C21 H24 Cl2 N4 O8 Zn -
- C21 H24 Cl2 N4 O8 Zn -
- C84 H96 Cl8 N16 O32 Zn4 -
4
1
FR1069
Xiaodong Xu; Craig S. Allen; Chang-lin Chuang; James W. Canary
A Tetrahedral Zinc(II) Complex of Tris(2-pyridylethyl)amine
Acta Crystallographica Section C
1,998
54
5
600
601
10.1107/S0108270197017733
1.54178
CuKα
0.0862
0.059
null
0.184
0.1505
null
null
null
1.142
1.086
1.086
null
null
null
has coordinates,has Fobs
Xiaodong Xu; Craig S. Allen; Chang-lin Chuang; James W. Canary A Tetrahedral Zinc(II) Complex of Tris(2-pyridylethyl)amine Acta Crystallographica Section C 54(5) (1998) 600-601
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007228.cif $ #-------------------------------------------------------------------...
2,007,229
6.7611
0.0011
16.889
0.003
7.7713
0.0013
90
null
92.44
0.02
90
null
886.6
0.3
153
2
153
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
2-amino-3,5-dichloropyridinium chloride
- C5 H7 Cl3 N2 O -
- C5 H7 Cl3 N2 O -
- C20 H28 Cl12 N8 O4 -
4
1
FR1087
Anagnostis, Jason; Turnbull, Mark M.
2-Amino-3,5-dichloropyridinium Chloride Monohydrate
Acta Crystallographica Section C
1,998
54
5
681
683
10.1107/S0108270197017344
0.71073
MoKα
0.0365
0.0281
null
0.0714
0.0692
null
null
null
0.958
1.028
1.028
null
null
null
has coordinates
Anagnostis, Jason; Turnbull, Mark M. 2-Amino-3,5-dichloropyridinium Chloride Monohydrate Acta Crystallographica Section C 54(5) (1998) 681-683
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007229.cif $ #-------------------------------------------------------------------...
2,230,055
8.6347
0.0003
8.7663
0.0003
11.5155
0.0004
70.668
0.002
73.131
0.002
72.679
0.002
767.24
0.05
100
2
100
2
null
null
null
null
5
P -1
-P 1
2
3-(2,6-Dimethylanilino)imidazo[1,2-<i>a</i>]pyridin-1-ium perchlorate
- C15 H16 Cl N3 O4 -
- C15 H16 Cl N3 O4 -
- C30 H32 Cl2 N6 O8 -
2
1
KJ2175
Nichol, Gary S.; Sharma, Anuj; Li, Hong-Yu
3-(2,6-Dimethylanilino)imidazo[1,2-<i>a</i>]pyridin-1-ium perchlorate
Acta Crystallographica Section E
2,011
67
5
o1224
10.1107/S1600536811014735
0.71073
MoKα
0.0526
0.0384
null
null
0.103
0.1111
null
null
null
null
null
1.049
null
null
has coordinates,has Fobs
Nichol, Gary S.; Sharma, Anuj; Li, Hong-Yu 3-(2,6-Dimethylanilino)imidazo[1,2-<i>a</i>]pyridin-1-ium perchlorate Acta Crystallographica Section E 67(5) (2011) o1224
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230055.cif $ #-------------------------------------------------------------------...
2,007,230
10.855
0.001
16.045
0.002
10.516
0.002
90
null
90
null
90
null
1,831.6
0.4
295
null
295
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
- C18 H33 Cl Si -
- C18 H33 Cl Si -
- C72 H132 Cl4 Si4 -
4
0.5
FR1098
Lindfors, Britt E.; Male, Jonathan L.; Tyler, David R.; Weakley, Timothy J.R.
Chlorotricyclohexylsilane, C~18~H~33~ClSi
Acta Crystallographica Section C
1,998
54
5
694
695
10.1107/S0108270197017745
0.71073
MoKα
0.048
0.043
null
0.077
0.073
null
null
null
1.43
1.47
1.47
null
null
null
has coordinates,has Fobs
Lindfors, Britt E.; Male, Jonathan L.; Tyler, David R.; Weakley, Timothy J.R. Chlorotricyclohexylsilane, C~18~H~33~ClSi Acta Crystallographica Section C 54(5) (1998) 694-695
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007230.cif $ #-------------------------------------------------------------------...
2,007,231
19.037
0.006
9.548
0.003
12.089
0.004
90
null
90
null
90
null
2,197.4
1.2
293
2
293
2
null
null
null
null
3
P b c n
-P 2n 2ab
60
FULGID-1
2,3-diphenylbenzylidenesuccinic anhydride
- C30 H20 O3 -
- C30 H20 O3 -
- C120 H80 O12 -
4
0.5
HA1200
Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark
2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)
Acta Crystallographica Section C
1,998
54
5
683
687
10.1107/S0108270197018441
0.71069
MoKα
0.1608
0.0868
null
0.313
0.1742
null
null
null
0.97
1.104
1.104
null
null
null
has coordinates
Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark 2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III) Acta Crystallographica Section C 54(5) (1998...
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007231.cif $ #-------------------------------------------------------------------...
2,007,232
11.939
0.003
10.251
0.003
8.731
0.002
100.45
0.02
100.32
0.02
67.65
0.02
964.7
0.5
293
2
293
2
null
null
null
null
3
P -1
-P 1
2
FULGID-2
2-fluorenylidene,3-(adamantylidene)succinic anhydride
- C27 H22 O3 -
- C27 H22 O3 -
- C54 H44 O6 -
2
1
HA1200
Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark
2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)
Acta Crystallographica Section C
1,998
54
5
683
687
10.1107/S0108270197018441
0.71069
MoKα
0.1505
0.0783
null
0.2773
0.1725
null
null
null
0.238
0.228
0.228
null
null
null
has coordinates
Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark 2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III) Acta Crystallographica Section C 54(5) (1998...
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007232.cif $ #-------------------------------------------------------------------...
2,230,054
14.556
0.003
6.7607
0.0014
17.085
0.003
90
null
101.63
0.03
90
null
1,646.8
0.6
173
2
173
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
bis[μ-(<i>E</i>)-2-({2-[4- (dimethylamino)benzoyl]hydrazinylidene}methyl)phenolato]bis[formatozinc]
- C34 H34 N6 O8 Zn2 -
- C34 H34 N6 O8 Zn2 -
- C68 H68 N12 O16 Zn4 -
2
0.5
JJ2088
Ma, Jie; Fan, Wei-Zhen; Lin, Li-Rong
A dinuclear zinc complex with (<i>E</i>)-4-dimethylamino-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide
Acta Crystallographica Section E
2,011
67
5
m624
m625
10.1107/S1600536811014462
0.71073
MoKα
0.0363
0.0282
null
null
0.0732
0.0774
null
null
null
null
null
1.072
null
null
has coordinates,has Fobs
Ma, Jie; Fan, Wei-Zhen; Lin, Li-Rong A dinuclear zinc complex with (<i>E</i>)-4-dimethylamino-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide Acta Crystallographica Section E 67(5) (2011) m624-m625
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230054.cif $ #-------------------------------------------------------------------...
2,007,233
10.2498
0.001
12.586
0.003
8.189
0.004
96.51
null
87.9
null
93.5
null
1,047.2
0.6
293
2
293
2
null
null
null
null
3
P -1
-P 1
2
FULGID-3
2-fluorenylidene,3-(3,4,5-trimethoxybenzylidene) succinic anhydride
- C27 H20 O6 -
- C27 H20 O6 -
- C54 H40 O12 -
2
1
HA1200
Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark
2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)
Acta Crystallographica Section C
1,998
54
5
683
687
10.1107/S0108270197018441
0.71093
MoKα
0.1268
0.0886
null
0.2587
0.2019
null
null
null
0.394
0.41
0.41
null
null
null
has coordinates
Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark 2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III) Acta Crystallographica Section C 54(5) (1998...
176,759
2020-10-21
18:00:00
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2,007,234
21.2245
0.0011
21.2245
0.0011
21.2245
0.0011
90
null
90
null
90
null
9,561.2
0.9
250
2
250
2
null
null
null
null
5
P 21 3
P 2ac 2ab 3
198
Disodium bis(methyl-α-D-mannopyranosidato(3-)) 5/3-bismutate(III) hydroxide dodecahydrate
- C14 H47 Bi1.6667 Na2 O25 -
- C14 H22.6667 Bi1.66667 Na2 O25.0467 -
- C168 H272 Bi20 Na24 O300.56 -
12
1
JZ1224
Klüfers, Peter; Mayer, Peter
Polyol‒Metal Complexes. 26. A Three-Dimensional Triply-Connected Alkoxo‒Metal Net in a Carbohydrate‒Bismuth(III) Complex
Acta Crystallographica Section C
1,998
54
5
583
586
10.1107/S0108270197011050
0.71073
MoKa
0.026
0.022
null
0.043
0.042
null
null
null
0.983
1.006
1.006
null
null
null
has coordinates
Klüfers, Peter; Mayer, Peter Polyol‒Metal Complexes. 26. A Three-Dimensional Triply-Connected Alkoxo‒Metal Net in a Carbohydrate‒Bismuth(III) Complex Acta Crystallographica Section C 54(5) (1998) 583-586
176,759
2020-10-21
18:00:00
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2,007,235
8.9033
0.0008
6.3
0.003
10.717
0.002
90
null
102.614
0.013
90
null
586.6
0.3
293
2
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
β-Sodium succinate hexahydrate
- C4 H16 Na2 O10 -
- C4 H16 Na2 O10 -
- C8 H32 Na4 O20 -
2
0.5
JZ1231
Montserrat, Noemí; Virtudes Moreno; Xavier Solans; Mercé Font-Bardía
A New Phase of Sodium Succinate Hexahydrate
Acta Crystallographica Section C
1,998
54
5
578
580
10.1107/S0108270197017393
0.71069
MoKα
0.0404
0.0289
null
0.1076
0.0746
null
null
null
1.059
1.08
1.08
null
null
null
has coordinates,has disorder
Montserrat, Noemí; Virtudes Moreno; Xavier Solans; Mercé Font-Bardía A New Phase of Sodium Succinate Hexahydrate Acta Crystallographica Section C 54(5) (1998) 578-580
176,435
2020-10-21
18:00:00
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2,007,236
11.085
0.003
7.7168
0.0006
13.006
0.002
90
null
99.97
0.02
90
null
1,095.7
0.4
293
2
293
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester
- C9 H11 N5 O3 -
- C9 H11 N5 O3 -
- C36 H44 N20 O12 -
4
1
JZ1235
Sood, Geeta; Schwalbe, Carl H.; Fraser, William
6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester
Acta Crystallographica Section C
1,998
54
5
659
661
10.1107/S0108270197015795
1.54178
CuKα
0.041
0.038
null
0.101
0.1
null
null
null
1.381
1.408
1.408
null
null
null
has coordinates
Sood, Geeta; Schwalbe, Carl H.; Fraser, William 6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester Acta Crystallographica Section C 54(5) (1998) 659-661
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007236.cif $ #-------------------------------------------------------------------...
2,230,053
12.3911
0.0013
14.7125
0.0016
10.2966
0.0011
90
null
104.125
0.002
90
null
1,820.4
0.3
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Bis(5-phenyl-1<i>H</i>-1,2,4-triazol-3-yl) disulfide dihydrate
5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)disulfanyl]-1H-1,2,4-triazole dihydrate
- C16 H16 N6 O2 S2 -
- C16 H16 N6 O2 S2 -
- C64 H64 N24 O8 S8 -
4
0.5
JJ2087
Zhu, Ai-Xin; Liu, Jun-Na; Li, Zhen; Wang, Hong-Can; Du, Yuan-Chao
Bis(5-phenyl-1<i>H</i>-1,2,4-triazol-3-yl) disulfide dihydrate
Acta Crystallographica Section E
2,011
67
5
o1208
10.1107/S1600536811014607
0.71073
MoKα
0.0473
0.0416
null
null
0.1147
0.1198
null
null
null
null
null
1.058
null
null
has coordinates,has Fobs
Zhu, Ai-Xin; Liu, Jun-Na; Li, Zhen; Wang, Hong-Can; Du, Yuan-Chao Bis(5-phenyl-1<i>H</i>-1,2,4-triazol-3-yl) disulfide dihydrate Acta Crystallographica Section E 67(5) (2011) o1208
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230053.cif $ #-------------------------------------------------------------------...
2,007,237
9.2753
0.0006
11.3756
0.0008
21.72
0.002
90
null
90
null
90
null
2,291.7
0.3
293
2
293
2
null
null
null
null
6
C m c m
-C 2c 2
63
Bis(1,3,5-triamino-1,3,5-trideoxy-cis-inositol) Copper(II) Dichloride Tetrahydrate
- C12 H38 Cl2 Cu N6 O10 -
- C12 H38 Cl2 Cu N6 O10 -
- C48 H152 Cl8 Cu4 N24 O40 -
4
0.25
JZ1250
Guido J. Reiß; Walter Frank; Kaspar Hegetschweiler; Dirk Kuppert
Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>N</i>)copper(II) Dichloride Tetrahydrate
Acta Crystallographica Section C
1,998
54
5
614
616
10.1107/S0108270197018131
0.71073
MoKα
0.0485
0.0273
null
null
null
0.0586
null
null
null
null
null
1.045
null
null
has coordinates
Guido J. Reiß; Walter Frank; Kaspar Hegetschweiler; Dirk Kuppert Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>N</i>)copper(II) Dichloride Tetrahydrate Acta Crystallographica Section C 54(5) (1998) 614-616
176,759
2020-10-21
18:00:00
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2,007,238
7.4845
0.0009
10.4936
0.001
6.2217
0.0005
90
null
90
null
90
null
488.65
0.08
293
2
293
2
null
null
null
null
5
I m m a
-I 2b 2
74
lithium hexafluoro arsenate monohydrate
- As F6 H2 Li O -
- As F6 H2 Li O -
- As4 F24 H8 Li4 O4 -
4
0.25
JZ1259
Loss, Sandra; Röhr, Caroline
Lithium Hexafluoroarsenate Monohydrate, LiAsF~6~.H~2~O
Acta Crystallographica Section C
1,998
54
5
567
569
10.1107/S0108270197015497
0.7107
MoKα
0.0381
0.021
null
0.0558
0.0507
null
null
null
1.085
1.122
1.122
null
null
null
has coordinates
Loss, Sandra; Röhr, Caroline Lithium Hexafluoroarsenate Monohydrate, LiAsF~6~.H~2~O Acta Crystallographica Section C 54(5) (1998) 567-569
176,435
2020-10-21
18:00:00
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2,007,239
8.107
0.003
8.53
0.003
7.339
0.003
90.11
0.03
98.44
0.03
94.859
0.003
500.2
0.3
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
Crystal structure of 2,4 dichlorophenyloxy acetyl hydrazine
- C8 H8 Cl2 N2 O2 -
- C8 H8 Cl2 N2 O2 -
- C16 H16 Cl4 N4 O4 -
2
1
KA1248
Lokanath, N.K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nagaraja, H.S.; Mohan Rao, P.
(2,4-Dichlorophenoxy)acetohydrazide
Acta Crystallographica Section C
1,998
54
5
669
670
10.1107/S0108270197018416
0.71069
MoKα
0.0603
0.0439
null
0.1539
0.1326
null
null
null
1.166
1.22
1.22
null
null
null
has coordinates
Lokanath, N.K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nagaraja, H.S.; Mohan Rao, P. (2,4-Dichlorophenoxy)acetohydrazide Acta Crystallographica Section C 54(5) (1998) 669-670
301,791
2025-08-18
23:15:31
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2,007,240
4.644
0.003
16.559
0.005
7.007
0.003
90
null
94.19
0.04
90
null
537.4
0.4
293
2
293
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
2,2'-bibenzoxazole
- C14 H8 N2 O2 -
- C14 H8 N2 O2 -
- C28 H16 N4 O4 -
2
0.5
KA1251
F. Ekkehardt Hahn; Lutz Imhof; Thomas Lügger
2,2'-Bibenzoxazole
Acta Crystallographica Section C
1,998
54
5
668
669
10.1107/S0108270197018143
0.71073
MoKα
0.0533
0.0444
null
null
null
0.1328
null
null
null
null
null
1.084
null
null
has coordinates
F. Ekkehardt Hahn; Lutz Imhof; Thomas Lügger 2,2'-Bibenzoxazole Acta Crystallographica Section C 54(5) (1998) 668-669
301,791
2025-08-18
23:15:31
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2,007,241
7.1513
0.0006
8.2054
0.0006
8.3385
0.0006
117.264
0.006
96.049
0.006
100.497
0.006
417.56
0.06
298
2
298
2
null
null
null
null
5
P -1
-P 1
2
Ammonium saccharin
Ammonium o-sulfobenzoimide
- C7 H8 N2 O3 S -
- C7 H8 N2 O3 S -
- C14 H16 N4 O6 S2 -
2
1
KA1255
Ng, Seik Weng
Ammonium Saccharin
Acta Crystallographica Section C
1,998
54
5
649
651
10.1107/S0108270197014868
0.71073
MoKα
0.037
0.033
null
0.101
0.097
null
null
null
1.067
1.083
1.083
null
null
null
has coordinates
Ng, Seik Weng Ammonium Saccharin Acta Crystallographica Section C 54(5) (1998) 649-651
176,759
2020-10-21
18:00:00
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2,007,242
7.855
0.002
9.982
0.002
11.589
0.002
90
null
90
null
90
null
908.7
0.3
150
2
150
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
Phenyl-2-pyridylketone
- C12 H9 N O -
- C12 H9 N O -
- C48 H36 N4 O4 -
4
1
LN1015
Sievert, Mark; Dienelt, Ruediger; Bock, Hans
Phenyl 2-Pyridyl Ketone at 150K
Acta Crystallographica Section C
1,998
54
5
674
676
10.1107/S0108270197017940
0.71073
MoKα
0.0441
0.0373
null
0.106
0.0968
null
null
null
1.036
1.028
1.028
null
null
null
has coordinates
Sievert, Mark; Dienelt, Ruediger; Bock, Hans Phenyl 2-Pyridyl Ketone at 150K Acta Crystallographica Section C 54(5) (1998) 674-676
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007242.cif $ #-------------------------------------------------------------------...
2,007,243
7.655
0.002
10.867
0.002
12.082
0.002
103.44
0.02
102.75
0.02
105.89
0.02
895.7
0.4
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Triiodide
- C24 H22 I6 S6 -
- C24 H22 I6 S6 -
- C24 H22 I6 S6 -
1
0.5
LN1043
Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert
1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate
Acta Crystallographica Section C
1,998
54
5
679
681
10.1107/S010827019701768X
0.71073
MoKα
0.1005
0.0346
null
0.1007
0.0819
null
null
null
1.006
1.087
1.087
null
null
null
has coordinates
Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert 1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate Acta Crystallographica Section C 5...
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007243.cif $ #-------------------------------------------------------------------...
2,230,052
9.7327
0.0004
17.2187
0.0006
12.1303
0.0004
90
null
100.045
0.002
90
null
2,001.69
0.13
116
2
116
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
4-<i>tert</i>-Butyl-2-[2-(1,3,3-trimethylindolin-2- ylidene)ethylidene]cyclohexanone
- C23 H31 N O -
- C23 H31 N O -
- C92 H124 N4 O4 -
4
1
JJ2085
Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.
4-<i>tert</i>-Butyl-2-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexanone
Acta Crystallographica Section E
2,011
67
5
o1210
10.1107/S1600536811014590
0.71073
MoKα
0.0617
0.0496
null
null
0.1264
0.1339
null
null
null
null
null
1.046
null
null
has coordinates,has disorder,has Fobs
Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J. 4-<i>tert</i>-Butyl-2-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexanone Acta Crystallographica Section E 67(5) (2011) o1210
301,806
2025-08-19
15:27:02
#------------------------------------------------------------------------------ #$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301806 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230052.cif $ #-------------------------------------------------------------------...
2,007,244
11.087
0.005
10.4329
0.001
14.325
0.009
90
null
104.32
0.02
90
null
1,605.5
1.3
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Bis(4-methoxylphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene) ethane Perchlorate
- C26 H26 Cl2 O10 S6 -
- C26 H26 Cl2 O10 S6 -
- C52 H52 Cl4 O20 S12 -
2
0.5
LN1043
Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert
1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate
Acta Crystallographica Section C
1,998
54
5
679
681
10.1107/S010827019701768X
0.71073
MoKα
0.0697
0.0384
null
0.1096
0.0948
null
null
null
1.019
1.053
1.053
null
null
null
has coordinates
Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert 1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate Acta Crystallographica Section C 5...
301,791
2025-08-18
23:15:31
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/72/2007244.cif $ #-------------------------------------------------------------------...