file
int64
a
float64
siga
float64
b
float64
sigb
float64
c
float64
sigc
float64
alpha
float64
sigalpha
float64
beta
float64
sigbeta
float64
gamma
float64
siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
float64
cellpressure
float64
sigcellpressure
float64
diffrpressure
float64
sigdiffrpressure
float64
thermalhist
string
pressurehist
string
compoundsource
string
nel
string
sg
string
sgHall
string
sgNumber
int64
commonname
string
chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
Zprime
float64
acce_code
string
authors
string
title
string
journal
string
year
int64
volume
int64
issue
string
firstpage
string
lastpage
string
doi
string
method
string
radiation
string
wavelength
float64
radType
string
radSymbol
string
Rall
float64
Robs
float64
Rref
float64
wRall
float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
gofobs
float64
gofgt
float64
gofref
float64
duplicateof
int64
optimal
int64
status
string
flags
string
text
string
svnrevision
int64
date
string
time
string
onhold
string
cif_text
string
2,008,236
15.018
0.005
18.383
0.004
14.671
0.007
98.91
0.03
117.43
0.03
97.21
0.02
3,461
2
294
2
294
2
null
null
null
null
7
P -1
-P 1
2
1-chloro-1-hydrido-2,6-di(2-hydroxyethoxy)-1,3,5-tris(triphenylphosphine)- iso-closo-1-ruthenadecaborane‒trichloromethane (1:1.2)
- C59.2 H62.2 B9 Cl4.6 O4 P3 Ru -
- C59.2 H62.2 B9 Cl4.6 O4 P3 Ru -
- C118.4 H124.4 B18 Cl9.2 O8 P6 Ru2 -
2
1
DA1032
Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jing-De Wei; Ruo-Shui Jin; Zu-En Huang; Pei-Ju Zheng
A degraded glycol-substituted <i>iso</i>-<i>closo</i> ten-vertex ruthenaborane: [(PPh~3~)HClRuB~9~H~5~(OCH~2~CH~2~OH)~2~(PPh~3~)~2~]^.^1.2CHCl~3~
Acta Crystallographica Section C
1,999
55
3
337
339
10.1107/S0108270198013237
0.71069
MoKα
0.17
0.07
null
null
null
0.242
null
null
null
null
null
1.052
null
null
has coordinates
Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jing-De Wei; Ruo-Shui Jin; Zu-En Huang; Pei-Ju Zheng A degraded glycol-substituted <i>iso</i>-<i>closo</i> ten-vertex ruthenaborane: [(PPh~3~)HClRuB~9~H~5~(OCH~2~CH~2~OH)~2~(PPh~3~)~2~]^.^1.2CHCl~3~ Acta Crystallographica Section C 55(3) (1999) 337-339
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/2/00/82/2008236.cif $ #-------------------------------------------------------------------...
2,008,237
9.027
0.001
11.095
0.003
7.275
0.002
106.23
0.02
108.02
0.02
78.09
0.02
659.5
0.3
296
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C24 H32 Co N2 O10 -
- C24 H32 Co N2 O10 -
- C24 H32 Co N2 O10 -
1
0.5
DA1034
Okabe, Nobuo; Makino, Tomomi
<i>trans</i>-Diaquabis(quinoline-2-carboxylato-<i>N</i>,<i>O</i>)cobalt(II)–water–ethanol (1/2/2)
Acta Crystallographica Section C
1,999
55
3
300
302
10.1107/S0108270198013584
0.71069
MoKα
null
0.063
null
null
0.097
null
null
null
null
1.5
1.5
null
null
null
has coordinates
Okabe, Nobuo; Makino, Tomomi <i>trans</i>-Diaquabis(quinoline-2-carboxylato-<i>N</i>,<i>O</i>)cobalt(II)–water–ethanol (1/2/2) Acta Crystallographica Section C 55(3) (1999) 300-302
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008237.cif $ #-------------------------------------------------------------------...
2,008,238
10.735
0.002
13.31
0.002
5.205
0.001
90
null
90
null
90
null
743.7
0.2
296
null
null
null
null
null
null
null
5
P 21 21 2
P 2 2ab
18
- C12 H14 Co N4 O6 -
- C12 H14 Co N4 O6 -
- C24 H28 Co2 N8 O12 -
2
0.5
DA1037
Okabe, Nobuo; Adachi, Yukari
Bis[2-hydroxy-3-(1<i>H</i>-imidazol-4-yl)propionato]cobalt(II)
Acta Crystallographica Section C
1,999
55
3
302
304
10.1107/S0108270198013614
0.71069
MoKα
null
0.032
null
null
0.048
null
null
null
null
1.25
1.25
null
null
null
has coordinates
Okabe, Nobuo; Adachi, Yukari Bis[2-hydroxy-3-(1<i>H</i>-imidazol-4-yl)propionato]cobalt(II) Acta Crystallographica Section C 55(3) (1999) 302-304
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008238.cif $ #-------------------------------------------------------------------...
2,008,239
4.906
0.003
14.838
0.005
19.488
0.003
90
null
90
null
90
null
1,418.6
1
123
2
123
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methoxymethyl- 4-dimethylamino-(1H)-pyrimidin-2-one
- C13 H21 N3 O5 -
- C13 H21 N3 O5 -
- C52 H84 N12 O20 -
4
1
DA1046
Audette, Gerald F.; Zoghaib, Wajdi M.; Gupta, Sagar V.; Quail, J. Wilson; Delbaere, Louis T. J.
<i>N</i>,<i>N</i>-Dimethyl-5-methoxymethyl-2'-deoxycytidine
Acta Crystallographica Section C
1,999
55
3
427
430
10.1107/S0108270198013249
0.7093
MoKα
0.046
0.037
null
null
null
0.09
null
null
null
null
null
1.065
null
null
has coordinates
Audette, Gerald F.; Zoghaib, Wajdi M.; Gupta, Sagar V.; Quail, J. Wilson; Delbaere, Louis T. J. <i>N</i>,<i>N</i>-Dimethyl-5-methoxymethyl-2'-deoxycytidine Acta Crystallographica Section C 55(3) (1999) 427-430
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008239.cif $ #-------------------------------------------------------------------...
4,322,027
10.068
0.001
10.756
0.001
14.323
0.002
98.64
0.01
96.33
0.009
96.472
0.009
1,510.9
0.3
293.2
null
293.2
null
null
null
null
null
7
P -1
-P 1
2
- C23 H29 Cl3 N2 O6 P2 W -
- C23 H29 Cl3 N2 O6 P2 W -
- C46 H58 Cl6 N4 O12 P4 W2 -
2
1
Hiroshige Ishino; Shin'ichi Tokunaga; Hidetake Seino; Youichi Ishii; Masanobu Hidai
Synthesis and Structures of Tungsten (1-Pyridinio)imido Complexes and Their Facile N-N Bond Cleavage1
Inorganic Chemistry
1,999
38
2489
2496
10.1021/ic981116n
0.7107
MoKα
0.032
0.032
null
null
0.0289
0.0289
null
null
null
null
null
2.014
null
null
has coordinates
Hiroshige Ishino; Shin'ichi Tokunaga; Hidetake Seino; Youichi Ishii; Masanobu Hidai Synthesis and Structures of Tungsten (1-Pyridinio)imido Complexes and Their Facile N-N Bond Cleavage1 Inorganic Chemistry 38 (1999) 2489-2496
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322027.cif $ #-------------------------------------------------------------------...
2,008,240
6.5429
0.0008
9.0345
0.0009
23.894
0.004
90
0.011
90
0.011
90
0.01
1,412.4
0.3
293
2
293
2
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
Equilin
3-Hydroxyestra-1,3,5(10),7-tetraen-17-one
- C18 H20 O2 -
- C18 H20 O2 -
- C72 H80 O8 -
4
1
DA1048
Sawicki, Mark W.; Li, Naiyin; Ghosh, Debashis
Equilin
Acta Crystallographica Section C
1,999
55
3
425
427
10.1107/S0108270198013250
1.54178
CuKα
0.052
0.05
null
null
null
0.134
null
null
null
null
null
1.071
null
null
has coordinates,has Fobs
Sawicki, Mark W.; Li, Naiyin; Ghosh, Debashis Equilin Acta Crystallographica Section C 55(3) (1999) 425-427
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008240.cif $ #-------------------------------------------------------------------...
2,008,241
10.115
0.003
10.757
0.004
30.986
0.004
90
null
96.24
0.02
90
null
3,351.5
1.7
297
null
297
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C62 H50 Cl8 Cu2 N2 O18 -
- C62 H50 Cl8 Cu2 N2 O18 -
- C124 H100 Cl16 Cu4 N4 O36 -
2
0.5
DA1053
Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Noguchi, Masakazu; Tokii, Tadashi
A dimeric copper(II) bis(4-chlorophenoxy)acetate adduct with dimethylformamide
Acta Crystallographica Section C
1,999
55
3
316
318
10.1107/S0108270198014899
0.71073
MoKα
0.065
0.059
null
null
null
0.062
null
null
null
null
null
1.795
null
null
has coordinates
Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Noguchi, Masakazu; Tokii, Tadashi A dimeric copper(II) bis(4-chlorophenoxy)acetate adduct with dimethylformamide Acta Crystallographica Section C 55(3) (1999) 316-318
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/2/00/82/2008241.cif $ #-------------------------------------------------------------------...
2,008,242
8.045
0.002
8.937
0.002
26.773
0.003
90
0.01
90
0.01
90
0.02
1,924.9
0.7
293
2
293
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
5'-(toluenesulfonyl)adenosine
- C17 H19 N5 O6 S -
- C17 H19 N5 O6 S -
- C68 H76 N20 O24 S4 -
4
1
DE1093
D. Prahadeeswaran; T. Parthasarathy Seshadri
5'-<i>O</i>-(Toluenesulfonyl)adenosine
Acta Crystallographica Section C
1,999
55
3
389
391
10.1107/S0108270198013262
1.5418
CuKα
0.055
0.039
null
0.129
0.115
null
null
null
1.032
1.049
1.049
null
null
null
has coordinates
D. Prahadeeswaran; T. Parthasarathy Seshadri 5'-<i>O</i>-(Toluenesulfonyl)adenosine Acta Crystallographica Section C 55(3) (1999) 389-391
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008242.cif $ #-------------------------------------------------------------------...
2,008,243
4.851
0.002
13.535
0.003
14.013
0.005
90
null
97.28
0.01
90
null
912.7
0.5
293
2
293
2
null
null
null
null
4
P 1 21 1
P 2yb
4
N^4^Anisoylcytidine Dihydrate
- C17 H23 N3 O9 -
- C17 H23 N3 O9 -
- C34 H46 N6 O18 -
2
1
DE1095
S. Kolappan; T. P. Seshadri
<i>N</i>^4^-Anisoylcytidine dihydrate
Acta Crystallographica Section C
1,999
55
3
391
392
10.1107/S0108270198013274
1.5418
CuKα
0.049
0.042
null
0.132
0.117
null
null
null
1.051
1.062
1.062
null
null
null
has coordinates,has Fobs
S. Kolappan; T. P. Seshadri <i>N</i>^4^-Anisoylcytidine dihydrate Acta Crystallographica Section C 55(3) (1999) 391-392
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008243.cif $ #-------------------------------------------------------------------...
2,008,244
16.239
0.003
11.717
0.003
11.627
0.004
90
null
93.69
0.02
90
null
2,207.7
1
298.2
null
298.2
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Troglitazone
5-{4-[(4a,5,6,7,8,8a-hexahydro-6-hydroxy-2,5,7,8-tetramethylchroman-2- yl)methyloxy]benzyl}thiazolidine-2,4-dione
- C24 H27 N O5 S -
- C24 H27 N O5 S -
- C96 H108 N4 O20 S4 -
4
1
DE1099
K. Vyas; A. Sivalakshmidevi; C. Prabhakar; G. Om Reddy
Troglitazone, an euglycemic antidiabetic drug
Acta Crystallographica Section C
1,999
55
3
411
413
10.1107/S010827019801467X
1.5418
CuKα
0.092
0.062
null
0.058
null
0.056
null
null
1.828
null
null
2.039
null
null
has coordinates
K. Vyas; A. Sivalakshmidevi; C. Prabhakar; G. Om Reddy Troglitazone, an euglycemic antidiabetic drug Acta Crystallographica Section C 55(3) (1999) 411-413
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008244.cif $ #-------------------------------------------------------------------...
2,008,245
29.501
0.002
8.5509
0.0014
7.963
0.003
90
null
101.15
0.02
90
null
1,970.8
0.8
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Bis(méta-anisidinium) Dihydrogénodiphosphate
- C14 H22 N2 O9 P2 -
- C14 H22 N2 O9 P2 -
- C56 H88 N8 O36 P8 -
4
0.5
DU1178
Ould Abdellahi, Mohamed; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar
Bis(<i>m</i>-anisidinium) dihydrogénodiphosphate
Acta Crystallographica Section C
1,999
55
3
474
476
10.1107/S010827019801155X
0.71069
MoKα
0.0899
0.0516
null
0.1296
0.1107
null
null
null
1.058
1.145
1.145
null
null
null
has coordinates
Ould Abdellahi, Mohamed; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar Bis(<i>m</i>-anisidinium) dihydrogénodiphosphate Acta Crystallographica Section C 55(3) (1999) 474-476
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008245.cif $ #-------------------------------------------------------------------...
2,008,246
14.5297
0.0016
8.2314
0.0014
14.3684
0.0018
90
null
90
null
90
null
1,718.5
0.4
293
2
293
2
null
null
null
null
6
P b c n
-P 2n 2ab
60
- C14 H16 Cl2 N2 Ni S2 -
- C14 H16 Cl2 N2 Ni S2 -
- C56 H64 Cl8 N8 Ni4 S8 -
4
0.5
FG1490
Thangarasu Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen
Dichloro[2,2'-(2,5-dithiahexamethylene)dipyridine-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>']nickel(II)
Acta Crystallographica Section C
1,999
55
3
318
320
10.1107/S010827019801422X
0.71073
MoKα
0.0445
0.03
null
null
0.0641
0.0694
null
null
null
null
null
1.013
null
null
has coordinates
Thangarasu Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen Dichloro[2,2'-(2,5-dithiahexamethylene)dipyridine-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>']nickel(II) Acta Crystallographica Section C 55(3) (1999) 318-320
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/2/00/82/2008246.cif $ #-------------------------------------------------------------------...
2,008,247
11.009
0.002
5.949
0.001
14.466
0.003
90
null
105.66
0.01
90
null
912.2
0.3
293
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C9 H13 N O3 -
- C9 H13 N O3 -
- C36 H52 N4 O12 -
4
1
FG1506
Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I.
Two new spiro lactam-lactones
Acta Crystallographica Section C
1,999
55
3
416
419
10.1107/S0108270198010403
0.71073
MoKα
0.1783
0.074
null
0.2297
null
0.163
null
null
1.029
null
null
1.026
null
null
has coordinates,has disorder
Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I. Two new spiro lactam-lactones Acta Crystallographica Section C 55(3) (1999) 416-419
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/2/00/82/2008247.cif $ #-------------------------------------------------------------------...
2,008,248
9.991
0.001
10.098
0.001
10.576
0.001
90
null
108.98
0.01
90
null
1,008.99
0.18
293
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C10 H15 N O3 -
- C10 H15 N O3 -
- C40 H60 N4 O12 -
4
1
FG1506
Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I.
Two new spiro lactam-lactones
Acta Crystallographica Section C
1,999
55
3
416
419
10.1107/S0108270198010403
0.71073
MoKα
0.1631
0.047
null
0.1326
null
0.104
null
null
0.97
null
null
0.97
null
null
has coordinates
Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I. Two new spiro lactam-lactones Acta Crystallographica Section C 55(3) (1999) 416-419
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008248.cif $ #-------------------------------------------------------------------...
2,008,249
6.9403
0.0005
9.948
0.0007
9.5931
0.0007
90
null
90
null
90
null
662.33
0.08
293
2
293
2
null
null
null
null
4
P n m a
-P 2ac 2n
62
- C4 H6 O6 Pb -
- C4 H6 O6 Pb -
- C16 H24 O24 Pb4 -
4
0.5
FG1511
Norberg, Stefan; Svensson, Göran; Albertsson, Jörgen
Lead(II) oxydiacetate hydrate
Acta Crystallographica Section C
1,999
55
3
356
358
10.1107/S0108270198014115
0.71073
MoKα
0.061
0.044
null
0.129
null
0.112
null
null
1.158
null
null
1.197
null
null
has coordinates,has disorder
Norberg, Stefan; Svensson, Göran; Albertsson, Jörgen Lead(II) oxydiacetate hydrate Acta Crystallographica Section C 55(3) (1999) 356-358
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008249.cif $ #-------------------------------------------------------------------...
4,322,026
7.011
0.001
9.773
0.002
10.331
0.001
113.73
0.01
91.05
0.02
92.42
0.02
646.96
0.18
155
2
155
2
null
null
null
null
4
P -1
-P 1
2
- Cs F10 O6 Re3 -
- Cs F10 O6 Re3 -
- Cs2 F20 O12 Re6 -
2
1
William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen
Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)\ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN
Inorganic Chemistry
1,999
38
2340
2358
10.1021/ic980695t
0.56086
AgKα
0.0694
0.0533
null
0.1511
0.1395
null
null
null
1.035
1.073
1.073
null
null
null
has coordinates
William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X...
179,323
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322026.cif $ #-------------------------------------------------------------------...
2,008,250
10.458
0.002
7.619
0.002
13.28
0.002
90
null
91.94
0.01
90
null
1,057.5
0.4
293
2
293
2
null
null
null
null
3
P 1 21 1
P 2yb
4
(+)-3-Oxo-5α-cholan-24-oic Acid
(+)-3-Oxo-5α-cholan-24-oic Acid
- C24 H38 O3 -
- C24 H38 O3 -
- C48 H76 O6 -
2
1
FG1512
Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.
(+)-3-Oxo-5α-cholan-24-oic acid: catemeric hydrogen bonding in a steroidal keto acid
Acta Crystallographica Section C
1,999
55
3
419
422
10.1107/S0108270198012931
0.71073
MoKα
0.069
0.046
null
0.122
0.101
null
null
null
1.07
1.1
1.1
null
null
null
has coordinates
Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. (+)-3-Oxo-5α-cholan-24-oic acid: catemeric hydrogen bonding in a steroidal keto acid Acta Crystallographica Section C 55(3) (1999) 419-422
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008250.cif $ #-------------------------------------------------------------------...
2,008,251
11.401
0.001
14.698
0.002
5.0903
0.0006
90
null
94.53
0.009
90
null
850.33
0.17
293
2
288
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
1-hydroxyethyl-2,2'-biimidazole
- C8 H10 N4 O -
- C8 H10 N4 O -
- C32 H40 N16 O4 -
4
1
FG1514
Lin, Geng; Collier, Harvest; Baughman, Russell G.
1-Hydroxyethyl-2,2'-biimidazole
Acta Crystallographica Section C
1,999
55
3
476
478
10.1107/S0108270198017387
0.71073
MoKα
0.063
0.04
null
0.113
0.095
null
null
null
1.012
1.075
1.075
null
null
null
has coordinates,has Fobs
Lin, Geng; Collier, Harvest; Baughman, Russell G. 1-Hydroxyethyl-2,2'-biimidazole Acta Crystallographica Section C 55(3) (1999) 476-478
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008251.cif $ #-------------------------------------------------------------------...
2,008,252
7.579
0.002
17.55
0.002
11.111
0.005
90
null
90
null
90
null
1,477.9
0.8
296
null
296
null
null
null
null
null
5
I b a 2
I 2 -2c
45
- C8 H20 N6 Ni S2 -
- C8 H20 N6 Ni S2 -
- C32 H80 N24 Ni4 S8 -
4
0.5
FR1148
Moore, Stephanie L.; Philip J. Squattrito
Bis(1,3-propanediamine-<i>N</i>,<i>N</i>')bis(thiocyanato-<i>N</i>)nickel(II)
Acta Crystallographica Section C
1,999
55
3
332
334
10.1107/S0108270198013419
0.7107
MoKα
null
0.04
null
null
null
0.05
null
null
null
null
null
2.12
null
null
has coordinates
Moore, Stephanie L.; Philip J. Squattrito Bis(1,3-propanediamine-<i>N</i>,<i>N</i>')bis(thiocyanato-<i>N</i>)nickel(II) Acta Crystallographica Section C 55(3) (1999) 332-334
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008252.cif $ #-------------------------------------------------------------------...
2,008,253
8.817
0.002
9.872
0.002
13.672
0.003
90
null
90
null
90
null
1,190
0.4
295
2
295
2
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
Idazoxan hydrobromide
2-(1,4-benzodioxan-2-yl)imidazolinium bromide
- C11 H13 Br N2 O2 -
- C11 H13 Br N2 O2 -
- C44 H52 Br4 N8 O8 -
4
1
FR1149
Brunel, Serge; Maurel, Jean Louis; Ribet, Jean Paul; Monconduit, Laure; Tillard, Monique; Belin, Claude
Absolute configuration of 2-(1,4-benzodioxan-2-yl)imidazolinium bromide
Acta Crystallographica Section C
1,999
55
3
441
443
10.1107/S0108270198013286
0.71073
MoKα
0.08
0.036
null
null
null
0.089
null
null
null
null
null
0.959
null
null
has coordinates,has Fobs
Brunel, Serge; Maurel, Jean Louis; Ribet, Jean Paul; Monconduit, Laure; Tillard, Monique; Belin, Claude Absolute configuration of 2-(1,4-benzodioxan-2-yl)imidazolinium bromide Acta Crystallographica Section C 55(3) (1999) 441-443
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008253.cif $ #-------------------------------------------------------------------...
2,008,254
9.871
0.002
11.044
0.002
13.117
0.003
87.403
0.008
89.625
0.004
67.3872
0.0011
1,318.6
0.5
180
null
180
null
null
null
null
null
4
P -1
-P 1
2
- C12 H15 N3 S2 -
- C12 H15 N3 S2 -
- C48 H60 N12 S8 -
4
2
FR1159
John S. Davidson; Steven J. Rettig; James Trotter
Fromm's methylphenyldithiodimethylketuret
Acta Crystallographica Section C
1,999
55
3
434
436
10.1107/S0108270198013432
0.71069
MoKα
0.1182
0.04
null
0.0768
0.077
null
null
null
1.02
null
null
1.02
null
null
has coordinates
John S. Davidson; Steven J. Rettig; James Trotter Fromm's methylphenyldithiodimethylketuret Acta Crystallographica Section C 55(3) (1999) 434-436
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008254.cif $ #-------------------------------------------------------------------...
4,322,025
31.551
0.001
31.551
0.001
12.9
0.001
90
null
90
null
90
null
12,841.5
1.1
100
2
100
2
null
null
null
null
7
P 42/n :2
-P 4bc
86
- C299 H319 Cl3 N24 O4 Ru4 Zn -
- C220 H136 Cl N24 O4 Ru4 Zn -
- C440 H272 Cl2 N48 O8 Ru8 Zn2 -
2
0.25
Enzo Alessio; Silvano Geremia; Stefano Mestroni; Ivana Srnova; Miroslav Slouf; Teresa Gianferrara; Anna Prodi
Porphyrin "Flying-Saucers": Solid State and Solution Structure of a Novel Pentameric Array of Axially-Ligated Canted Porphyrins
Inorganic Chemistry
1,999
38
2527
2529
10.1021/ic990084g
0.8
synchrotron
0.0979
0.0832
null
null
0.237
0.245
null
null
null
null
null
1.063
null
null
has coordinates
Enzo Alessio; Silvano Geremia; Stefano Mestroni; Ivana Srnova; Miroslav Slouf; Teresa Gianferrara; Anna Prodi Porphyrin "Flying-Saucers": Solid State and Solution Structure of a Novel Pentameric Array of Axially-Ligated Canted Porphyrins Inorganic Chemistry 38 (1999) 2527-2529
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322025.cif $ #-------------------------------------------------------------------...
2,008,255
12.8953
0.0017
10.0927
0.0011
14.413
0.002
90
null
106.638
0.012
90
null
1,797.2
0.4
153
2
153
2
null
null
null
null
6
P 1 21 1
P 2yb
4
paroxetine hydrochloride hemihydrate
- C19 H22 Cl F N O3.5 -
- C19 H22 Cl F N O3.5 -
- C76 H88 Cl4 F4 N4 O14 -
4
2
Ibers, James A.
Paroxetine hydrochloride hemihydrate
Acta Crystallographica Section C
1,999
55
3
432
434
10.1107/S0108270198013444
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ibers, James A. Paroxetine hydrochloride hemihydrate Acta Crystallographica Section C 55(3) (1999) 432-434
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008255.cif $ #-------------------------------------------------------------------...
2,008,256
8.7931
0.0005
9.2891
0.0004
13.2423
0.0009
89.657
0.004
73.646
0.007
82.804
0.005
1,029.21
0.11
291
2
null
null
null
null
null
null
5
P -1
-P 1
2
- C15 H21 F6 Na O7 -
- C15 H21 F6 Na O7 -
- C30 H42 F12 Na2 O14 -
2
1
GD1004
Farrugia, Louis J.; Watson, Ian M.
(1,1,1,5,5,5-Hexafluoro-2,4-pentanedionato-<i>O</i>,<i>O</i>')(1,4,7,10,13-pentaoxapentadecane-κ^5^<i>O</i>)sodium
Acta Crystallographica Section C
1,999
55
3
326
328
10.1107/S0108270198013031
0.71073
MoKα
null
0.055
null
null
null
0.175
null
null
null
null
null
1.045
null
null
has coordinates,has Fobs
Farrugia, Louis J.; Watson, Ian M. (1,1,1,5,5,5-Hexafluoro-2,4-pentanedionato-<i>O</i>,<i>O</i>')(1,4,7,10,13-pentaoxapentadecane-κ^5^<i>O</i>)sodium Acta Crystallographica Section C 55(3) (1999) 326-328
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/2/00/82/2008256.cif $ #-------------------------------------------------------------------...
2,008,257
20.43
0.004
5.591
0.004
5.288
0.0006
90
null
93.26
0.01
90
null
603
0.5
293
2
293
2
null
null
null
null
4
C 1 2/m 1
-C 2y
12
Nitrate d'Argent et de Césium: AgCs(NO~3~)~2~
- Ag Cs N2 O6 -
- Ag Cs N2 O6 -
- Ag4 Cs4 N8 O24 -
4
0.5
GS1014
Ben Amor, Fatma; Hellali, Dalila; Zamali, Hmida
Nitrate d'argent et de césium: AgCs(NO~3~)~2~
Acta Crystallographica Section C
1,999
55
3
281
282
10.1107/S0108270198013304
0.71069
MoKα
0.045
0.043
null
0.129
0.128
null
null
null
1.265
1.29
1.29
null
null
null
has coordinates
Ben Amor, Fatma; Hellali, Dalila; Zamali, Hmida Nitrate d'argent et de césium: AgCs(NO~3~)~2~ Acta Crystallographica Section C 55(3) (1999) 281-282
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/2/00/82/2008257.cif $ #-------------------------------------------------------------------...
2,008,258
10.9742
0.0007
14.467
0.001
6.731
0.001
90
null
104.28
0.01
90
null
1,035.62
0.19
293
2
293
2
null
null
null
null
4
C 1 2/m 1
-C 2y
12
Nickel potassium arsenate.
- As6 K4 Ni7 O24 -
- As6 K4 Ni7 O24 -
- As12 K8 Ni14 O48 -
2
0.25
GS1015
Ben Smail, Ridha; Driss, Ahmed; Jouini, Tahar
K~4~Ni~7~(AsO~4~)~6~
Acta Crystallographica Section C
1,999
55
3
284
286
10.1107/S0108270198012293
0.71069
MoKα
0.0379
0.0339
null
0.0812
0.0798
null
null
null
1.264
1.306
1.306
null
null
null
has coordinates
Ben Smail, Ridha; Driss, Ahmed; Jouini, Tahar K~4~Ni~7~(AsO~4~)~6~ Acta Crystallographica Section C 55(3) (1999) 284-286
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/2/00/82/2008258.cif $ #-------------------------------------------------------------------...
2,008,259
11.992
0.003
15.932
0.002
7.222
0.002
90
null
90
null
90
null
1,379.8
0.5
293
null
293
null
null
null
null
null
4
F d d 2
F 2 -2d
43
Strontium vanadium monophosphate
- O10 P2 Sr V2 -
- O10 P2 Sr V2 -
- O80 P16 Sr8 V16 -
8
0.5
GS1016
Berrah, Fadila; Leclaire, André; Borel, Marie-Madeleine; Guesdon, Anne; Raveau, Bernard
A new vanadium(IV) monophosphate, Sr(VO)~2~(PO~4~)~2~, isotypic with Ca(VO)~2~(PO~4~)~2~
Acta Crystallographica Section C
1,999
55
3
288
291
10.1107/S0108270198012372
0.71073
Mo_Kα
0.042
0.042
null
0.041
0.041
null
null
null
2.454
2.454
2.454
null
null
null
has coordinates
Berrah, Fadila; Leclaire, André; Borel, Marie-Madeleine; Guesdon, Anne; Raveau, Bernard A new vanadium(IV) monophosphate, Sr(VO)~2~(PO~4~)~2~, isotypic with Ca(VO)~2~(PO~4~)~2~ Acta Crystallographica Section C 55(3) (1999) 288-291
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/82/2008259.cif $ #-------------------------------------------------------------------...
4,322,024
14.441
0.003
15.194
0.003
14.085
0.003
90
null
90
null
90
null
3,090.5
1.1
293
2
293
2
null
null
null
null
6
C m c m
-C 2c 2
63
Oxophthalocyaninato molibden(V) triiodide
- C32 H16 I3 Mo N8 O -
- C32 H16 I3 Mo N8 O -
- C128 H64 I12 Mo4 N32 O4 -
4
0.25
Jan Janczak; Ryszard Kubiak
Synthesis, Structure, and Characterization of Oxomolybdenum(V) Phthalocyaninato(2-) Triiodide
Inorganic Chemistry
1,999
38
2429
2433
10.1021/ic9900410
0.71073
MoKα
0.0319
0.023
null
null
0.056
0.0592
null
null
null
null
null
1.028
null
null
has coordinates
Jan Janczak; Ryszard Kubiak Synthesis, Structure, and Characterization of Oxomolybdenum(V) Phthalocyaninato(2-) Triiodide Inorganic Chemistry 38 (1999) 2429-2433
179,323
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322024.cif $ #-------------------------------------------------------------------...
2,008,260
25.867
0.002
17.085
0.002
20.363
0.003
90
null
106.328
0.002
90
null
8,636.2
1.8
123
2
123
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C51 H53 N3 O9 -
- C51 H53 N3 O9 -
- C408 H424 N24 O72 -
8
2
GS1018
Thuéry, Pierre; Nierlich, Martine; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques
A 2,2'-azobenzene-substituted calix[4]arene-crown-6
Acta Crystallographica Section C
1,999
55
3
443
445
10.1107/S0108270198013882
0.71073
MoKα
null
0.0591
null
0.1638
0.1015
null
null
null
0.822
1.042
1.042
null
null
null
has coordinates
Thuéry, Pierre; Nierlich, Martine; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques A 2,2'-azobenzene-substituted calix[4]arene-crown-6 Acta Crystallographica Section C 55(3) (1999) 443-445
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008260.cif $ #-------------------------------------------------------------------...
2,008,261
7.7385
0.0012
12.199
0.003
20.667
0.002
90
null
99.735
0.018
90
null
1,922.9
0.6
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
4-ethyl-2,3-dihydro-4H-pyrido[3,2-e]-1,2,4-thiadiazine 1,1-dioxide
- C8 H11 N3 O2 S -
- C8 H11 N3 O2 S -
- C64 H88 N24 O16 S8 -
8
2
GS1021
Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal
4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide
Acta Crystallographica Section C
1,999
55
3
461
464
10.1107/S0108270198013894
1.5418
CuKα
0.0852
0.0453
null
null
null
0.1317
null
null
null
null
null
0.943
null
null
has coordinates,has Fobs
Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal 4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide Acta Crystallographica Section C 55(3) (1999) 461-464
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008261.cif $ #-------------------------------------------------------------------...
2,008,262
8.1628
0.0004
11.6259
0.0008
10.2405
0.0011
90
null
97.841
0.007
90
null
962.74
0.13
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
4-ethyl-2,3-dihydro-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide
- C8 H11 N3 O2 S -
- C8 H11 N3 O2 S -
- C32 H44 N12 O8 S4 -
4
1
GS1021
Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal
4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide
Acta Crystallographica Section C
1,999
55
3
461
464
10.1107/S0108270198013894
1.5418
CuKα
0.0463
0.0382
null
null
null
0.1064
null
null
null
null
null
1.06
null
null
has coordinates
Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal 4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide Acta Crystallographica Section C 55(3) (1999) 461-464
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008262.cif $ #-------------------------------------------------------------------...
2,008,263
10.313
0.004
11.871
0.002
12.713
0.002
90
null
90
null
90
null
1,556.4
0.7
298
2
298
2
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
2(S)-7-methoxy-2-(3-(R)-4,5-dihydro-4,4-dimethyl-3H-2-oxo-3-oxicarbonyl)- 2,3-dihydro-1,4-benzodioxin
- C16 H18 O7 -
- C16 H18 O7 -
- C64 H72 O28 -
4
1
GS1024
Mostafa Khouili; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia; Abdelaman Souizi; Gerard Coudert; Gerald Guillaumet
(3<i>R</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (<i>2S</i>)-7-methoxy-2,3-dihydro-1,4-benzodioxin-2-carboxylate
Acta Crystallographica Section C
1,999
55
3
387
389
10.1107/S0108270198013900
0.71069
MoKα
0.0631
0.0536
null
null
null
0.152
null
null
null
null
null
1.049
null
null
has coordinates,has Fobs
Mostafa Khouili; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia; Abdelaman Souizi; Gerard Coudert; Gerald Guillaumet (3<i>R</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (<i>2S</i>)-7-methoxy-2,3-dihydro-1,4-benzodioxin-2-carboxylate Acta Crystallographica Section C 55(3) (1999) 387-389
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008263.cif $ #-------------------------------------------------------------------...
4,322,023
15.5968
0.0011
16.7018
0.0011
15.5733
0.0007
90
null
112.076
0.005
90
null
3,759.3
0.4
173
2
173
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C84 H68 B Cu2 F4 N6 P4 -
- C84 H68 B Cu2 F4 N6 P4 -
- C168 H136 B2 Cu4 F8 N12 P8 -
2
0.5
Manuela Schwach; Hans-Dieter Hausen; Wolfgang Kaim
The First Crystal Structure of a Metal-Stabilized Tetrazine Anion Radical: Formation of a Dicopper Complex through Self-Assembly in a Comproportionation Reaction
Inorganic Chemistry
1,999
38
2242
2243
10.1021/ic9814625
0.71073
MoKα
0.0874
0.0616
null
0.1891
0.1653
null
null
null
1.062
1.119
1.119
null
null
null
has coordinates
Manuela Schwach; Hans-Dieter Hausen; Wolfgang Kaim The First Crystal Structure of a Metal-Stabilized Tetrazine Anion Radical: Formation of a Dicopper Complex through Self-Assembly in a Comproportionation Reaction Inorganic Chemistry 38 (1999) 2242-2243
301,838
2025-08-20
22:17:36
#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322023.cif $ #-------------------------------------------------------------------...
2,008,264
14.618
0.003
9.323
0.002
25.766
0.005
90
null
99.31
0.03
90
null
3,465.2
1.3
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
(Acetato-O,O')-(acetato-O)-(2,9-dimethyl-1,10-phenanthroline) zinc(ii)
- C18 H18 N2 O4 Zn -
- C18 H18 N2 O4 Zn -
- C144 H144 N16 O32 Zn8 -
8
1
HA1237
Harvey, Miguel; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro W.
(Acetato-<i>O</i>,<i>O</i>')(acetato-<i>O</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')zinc(II)
Acta Crystallographica Section C
1,999
55
3
308
310
10.1107/S0108270198013481
0.71073
MoKα
0.083
0.037
null
null
null
0.121
null
null
null
null
null
1.015
null
null
has coordinates
Harvey, Miguel; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro W. (Acetato-<i>O</i>,<i>O</i>')(acetato-<i>O</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')zinc(II) Acta Crystallographica Section C 55(3) (1999) 308-310
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/2/00/82/2008264.cif $ #-------------------------------------------------------------------...
2,008,265
9.034
0.002
10.155
0.001
12.368
0.002
110.35
0.01
89.9
0.02
103.02
0.01
1,032.8
0.3
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
6-[N-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one
6-[N-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one
- C13 H11 N O2 -
- C13 H11 N O2 -
- C52 H44 N4 O8 -
4
2
HA1241
Alok K. Mukherjee; Rajib Lal De; Indrajit Banerjee; Chitra Samanta; Nirmalya P. Nayak
6-[<i>N</i>-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one
Acta Crystallographica Section C
1,999
55
3
407
410
10.1107/S0108270198013912
1.5418
CuKα
0.0574
0.0499
null
0.1316
0.1248
null
null
null
1.053
1.087
1.087
null
null
null
has coordinates
Alok K. Mukherjee; Rajib Lal De; Indrajit Banerjee; Chitra Samanta; Nirmalya P. Nayak 6-[<i>N</i>-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one Acta Crystallographica Section C 55(3) (1999) 407-410
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008265.cif $ #-------------------------------------------------------------------...
2,008,266
4.5686
0.0001
15.7687
0.0002
20.1621
0.0004
90
null
90
null
90
null
1,452.5
0.05
293
2
293
2
null
null
null
null
4
P b c n
-P 2n 2ab
60
2-Aminopyrimidine and p-phenylenediacetic acid
- C14 H15 N3 O4 -
- C14 H15 N3 O4 -
- C56 H60 N12 O16 -
4
0.5
HA1242
Kandasamy Chinnakali; Hoong-Kun Fun; Shyamaprasad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam
2-Aminopyrimidine and <i>p</i>-phenylenediacetic acid (1:1) co-crystal
Acta Crystallographica Section C
1,999
55
3
399
401
10.1107/S0108270198013626
0.71073
MoKα
0.116
0.059
null
null
null
0.161
null
null
null
null
null
1.084
null
null
has coordinates
Kandasamy Chinnakali; Hoong-Kun Fun; Shyamaprasad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam 2-Aminopyrimidine and <i>p</i>-phenylenediacetic acid (1:1) co-crystal Acta Crystallographica Section C 55(3) (1999) 399-401
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008266.cif $ #-------------------------------------------------------------------...
4,322,022
14.6485
0.0003
18.6224
0.0004
17.3207
0.0004
90
null
98.626
0.001
90
null
4,671.47
0.18
150
2
150
2
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C36 H56 Al Cl2 N4 P3 Si4 -
- C36 H56 Al Cl2 N4 P3 Si4 -
- C144 H224 Al4 Cl8 N16 P12 Si16 -
4
1
Neil Burford; Daren J. LeBlanc
Iminophosphine Cycloaddition Reactions of a Diazaphosphoniaaluminatacyclobutane and a Novel Intramolecular Phosphiridine P\ρightarrowP Coordination
Inorganic Chemistry
1,999
38
2248
2249
10.1021/ic9813718
0.71073
MoKα
0.0798
0.0457
null
null
0.1212
0.1361
null
null
null
null
null
1.022
null
null
has coordinates
Neil Burford; Daren J. LeBlanc Iminophosphine Cycloaddition Reactions of a Diazaphosphoniaaluminatacyclobutane and a Novel Intramolecular Phosphiridine PρightarrowP Coordination Inorganic Chemistry 38 (1999) 2248-2249
179,323
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322022.cif $ #-------------------------------------------------------------------...
2,008,267
12.225
0.002
13.29
0.003
12.387
0.003
90
null
90
null
90
null
2,012.5
0.7
180
2
180
2
null
null
null
null
5
P b c a
-P 2ac 2ab
61
Trimethylphosphonium trichlorogermanate(II)
Trimethylphosphonium trichlorogermanate(II)
- C3 H10 Cl3 Ge P -
- C3 H10 Cl3 Ge P -
- C24 H80 Cl24 Ge8 P8 -
8
1
JZ1290
Gabriele Kociok-Köhn; Johannes G. Winter; Alexander C. Filippou
Trimethylphosphonium trichlorogermanate(II)
Acta Crystallographica Section C
1,999
55
3
351
353
10.1107/S010827019801169X
0.71073
MoKα
0.0365
0.0307
null
null
null
0.0845
null
null
null
null
null
1.044
null
null
has coordinates
Gabriele Kociok-Köhn; Johannes G. Winter; Alexander C. Filippou Trimethylphosphonium trichlorogermanate(II) Acta Crystallographica Section C 55(3) (1999) 351-353
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/2/00/82/2008267.cif $ #-------------------------------------------------------------------...
2,008,268
9.674
0.002
8.482
0.002
17.446
0.004
90
null
104.81
0.02
90
null
1,384
0.6
150
null
150
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
(3,7-diethyl-3,7-diazanonane-1,9-dithiolato-S,N,N'S')nickel(II)
- C11 H24 N2 Ni S2 -
- C11 H24 N2 Ni S2 -
- C44 H96 N8 Ni4 S8 -
4
1
JZ1315
Jörg Schneider; Ralf Hauptmann; Frank Osterloh; Gerald Henkel
(3,7-Diethyl-3,7-diazanonane-1,9-dithiolato-<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>')nickel(II)
Acta Crystallographica Section C
1,999
55
3
328
330
10.1107/S0108270198012578
0.71073
MoKα
null
0.024
null
null
null
0.058
null
null
null
1.086
1.086
null
null
null
has coordinates
Jörg Schneider; Ralf Hauptmann; Frank Osterloh; Gerald Henkel (3,7-Diethyl-3,7-diazanonane-1,9-dithiolato-<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>')nickel(II) Acta Crystallographica Section C 55(3) (1999) 328-330
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/2/00/82/2008268.cif $ #-------------------------------------------------------------------...
2,008,269
9.304
0.002
10.9792
0.0013
13.685
0.003
107.896
0.01
107.812
0.014
96.383
0.011
1,233.6
0.4
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
(triphenylphosphine)-1κP,2κP-dicopper(I) Di(triphenylphosphine) Diquinoline Bis(μ-Iodine) Dicopper
- C54 H44 Cu2 I2 N2 P2 -
- C54 H44 Cu2 I2 N2 P2 -
- C54 H44 Cu2 I2 N2 P2 -
1
0.5
JZ1317
Jin, Qiong-Hua; Wang, Yu-Xian; Xin, Xiu-Lan
Di-μ-iodo-1:2κ^4^<i>I</i>-bis(quinoline)-1κ<i>N</i>,2κ<i>N</i>-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-dicopper(I)
Acta Crystallographica Section C
1,999
55
3
341
343
10.1107/S010827019801333X
0.71073
MoKα
null
0.029
null
null
null
0.065
null
null
null
null
null
1.023
null
null
has coordinates
Jin, Qiong-Hua; Wang, Yu-Xian; Xin, Xiu-Lan Di-μ-iodo-1:2κ^4^<i>I</i>-bis(quinoline)-1κ<i>N</i>,2κ<i>N</i>-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-dicopper(I) Acta Crystallographica Section C 55(3) (1999) 341-343
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/2/00/82/2008269.cif $ #-------------------------------------------------------------------...
2,008,270
8.8005
0.0003
11.1
0.0005
11.628
0.0005
89.746
0.002
69.678
0.003
75.414
0.003
1,026.53
0.08
123
2
123
2
null
null
null
null
5
P -1
-P 1
2
- C15 H17 Gd N6 O12 -
- C15 H17 Gd N6 O12 -
- C30 H34 Gd2 N12 O24 -
2
1
JZ1321
Leverd, Pascal C.; Charbonnel, Marie-Christine; Dognon, Jean-Pierre; Lance, Monique; Nierlich, Martine
Triaquabis(nitrato-<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)gadolinium(III) nitrate
Acta Crystallographica Section C
1,999
55
3
368
370
10.1107/S0108270198013316
0.71073
MoKα
0.033
0.027
null
0.07
0.062
null
null
null
0.963
0.972
0.972
null
null
null
has coordinates
Leverd, Pascal C.; Charbonnel, Marie-Christine; Dognon, Jean-Pierre; Lance, Monique; Nierlich, Martine Triaquabis(nitrato-<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)gadolinium(III) nitrate Acta Crystallographica Section C 55(3) (1999) 368-370
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008270.cif $ #-------------------------------------------------------------------...
2,008,271
13.59
0.002
6.581
0.0011
9.9321
0.0014
90
null
90
null
90
null
888.3
0.2
293
2
null
null
null
null
null
null
5
P n m a
-P 2ac 2n
62
Guanine dihydrochloride
- C5 H7 Cl2 N5 O -
- C5 H7 Cl2 N5 O -
- C20 H28 Cl8 N20 O4 -
4
0.5
JZ1324
Matković-Čalogović, Dubravka; Sanković, Krešimir
Guaninium dichloride
Acta Crystallographica Section C
1,999
55
3
467
469
10.1107/S0108270198014607
0.71073
MoKα
0.098
0.039
null
null
null
0.108
null
null
null
null
null
1.016
null
null
has coordinates,has Fobs
Matković-Čalogović, Dubravka; Sanković, Krešimir Guaninium dichloride Acta Crystallographica Section C 55(3) (1999) 467-469
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008271.cif $ #-------------------------------------------------------------------...
2,008,272
11.687
0.002
7.576
0.001
24.153
0.003
90
null
95.91
0.01
90
null
2,127.2
0.5
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
[1-(4-methylphenylazo)-2-oxo-2-phenylethyl)-(4-acetanilide) sulfone
- C23 H21 N3 O4 S -
- C23 H21 N3 O4 S -
- C92 H84 N12 O16 S4 -
4
1
KA1293
Wojciech M. Wolf
X-ray investigations of sulfur-containing fungicides. I. 4'-{[Benzoyl(4-tolylhydrazono)methyl]sulfonyl}acetanilide
Acta Crystallographica Section C
1,999
55
3
469
472
10.1107/S0108270198013559
0.71073
MoKα
0.0598
0.0417
null
null
null
0.1711
null
null
null
null
null
1.02
null
null
has coordinates
Wojciech M. Wolf X-ray investigations of sulfur-containing fungicides. I. 4'-{[Benzoyl(4-tolylhydrazono)methyl]sulfonyl}acetanilide Acta Crystallographica Section C 55(3) (1999) 469-472
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008272.cif $ #-------------------------------------------------------------------...
4,322,021
22.2416
0.0014
8.907
0.0007
18.5029
0.0013
90
null
119.528
0.001
90
null
3,189.4
0.4
150
2
150
2
null
null
null
null
7
C 1 c 1
C -2yc
9
- C15 H45 Al Cl2 N4 P2 Si5 -
- C15 H45 Al Cl2 N4 P2 Si5 -
- C60 H180 Al4 Cl8 N16 P8 Si20 -
4
1
Neil Burford; Daren J. LeBlanc
Iminophosphine Cycloaddition Reactions of a Diazaphosphoniaaluminatacyclobutane and a Novel Intramolecular Phosphiridine P\ρightarrowP Coordination
Inorganic Chemistry
1,999
38
2248
2249
10.1021/ic9813718
0.71073
MoKα
0.0656
0.0414
null
null
0.0836
0.091
null
null
null
null
null
0.979
null
null
has coordinates
Neil Burford; Daren J. LeBlanc Iminophosphine Cycloaddition Reactions of a Diazaphosphoniaaluminatacyclobutane and a Novel Intramolecular Phosphiridine PρightarrowP Coordination Inorganic Chemistry 38 (1999) 2248-2249
179,323
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322021.cif $ #-------------------------------------------------------------------...
2,008,273
9.7172
0.0006
10.2638
0.0005
10.5991
0.0004
89.996
0.004
102.938
0.004
110.121
0.004
963.96
0.09
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
calcium hydronium decavanadate hexadecahydrate
- Ca2 H38 O46 V10 -
- Ca2 H38 O46 V10 -
- Ca2 H38 O46 V10 -
1
0.5
KA1295
Strukan, Neven; Cindrić, Marina; Kamenar, Boris
Ca~2~(H~3~ O)~2~[V~10~O~28~]^.^16H~2~O
Acta Crystallographica Section C
1,999
55
3
291
293
10.1107/S0108270198013468
0.7107
MoKα
0.048
0.03
null
null
null
0.081
null
null
null
null
null
1.006
null
null
has coordinates
Strukan, Neven; Cindrić, Marina; Kamenar, Boris Ca~2~(H~3~ O)~2~[V~10~O~28~]^.^16H~2~O Acta Crystallographica Section C 55(3) (1999) 291-293
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/2/00/82/2008273.cif $ #-------------------------------------------------------------------...
2,008,274
8.001
0.001
15.639
0.001
16.405
0.001
90
null
94.15
0.01
90
null
2,047.3
0.3
298
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
- C22 H26 N2 O3 -
- C22 H26 N2 O3 -
- C88 H104 N8 O12 -
4
1
KA1300
Hökelek, Tuncer; Kılıç, Zeynel; Bi̇lge, Selen
5,6,7,8,9,10,11,12,18,19,21,22-Dodecahydro-8,9:18,19-dibenzo-1,4,7-trioxa-11,16-diazacyclononadeca-10,16-diene
Acta Crystallographica Section C
1,999
55
3
381
383
10.1107/S0108270198013687
0.71073
MoKα
null
0.064
null
null
0.06
null
null
null
null
1.06
1.06
null
null
null
has coordinates
Hökelek, Tuncer; Kılıç, Zeynel; Bi̇lge, Selen 5,6,7,8,9,10,11,12,18,19,21,22-Dodecahydro-8,9:18,19-dibenzo-1,4,7-trioxa-11,16-diazacyclononadeca-10,16-diene Acta Crystallographica Section C 55(3) (1999) 381-383
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008274.cif $ #-------------------------------------------------------------------...
2,008,275
7.894
0.001
13.892
0.001
9.556
0.001
90
null
103.28
0.02
90
null
1,019.9
0.2
298
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C12 H7 N3 O2 -
- C12 H7 N3 O2 -
- C48 H28 N12 O8 -
4
1
KA1302
Hökelek, Tuncer; Kılıç, Emine; Aktan, Selami
1-Nitrobenzo[<i>c</i>]cinnoline
Acta Crystallographica Section C
1,999
55
3
383
385
10.1107/S0108270198013560
0.71073
MoKα
null
0.048
null
null
0.06
null
null
null
null
1.68
1.68
null
null
null
has coordinates
Hökelek, Tuncer; Kılıç, Emine; Aktan, Selami 1-Nitrobenzo[<i>c</i>]cinnoline Acta Crystallographica Section C 55(3) (1999) 383-385
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008275.cif $ #-------------------------------------------------------------------...
2,008,276
6.1818
0.001
13.008
0.003
13.605
0.009
105
0.03
92.46
0.03
101.74
0.02
1,029.3
0.8
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
- C44 H2 F28 N4 -
- C44 H2 F28 N4 -
- C44 H2 F28 N4 -
1
0.5
LN1059
Leroy, Jacques; Bondon, Arnaud; Toupet, Loic
2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin
Acta Crystallographica Section C
1,999
55
3
464
466
10.1107/S0108270198014000
0.71073
MoKα
0.083
0.0421
null
null
null
0.1267
null
null
null
null
null
1.024
null
null
has coordinates,has disorder
Leroy, Jacques; Bondon, Arnaud; Toupet, Loic 2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin Acta Crystallographica Section C 55(3) (1999) 464-466
176,428
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/82/2008276.cif $ #-------------------------------------------------------------------...
2,008,277
9.3138
0.0008
10.1641
0.0008
18.0633
0.0015
90
null
90
null
90
null
1,710
0.2
293
2
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C18 H22 Cr O3 -
- C18 H22 Cr O3 -
- C72 H88 Cr4 O12 -
4
1
Bahija Abouhamza; Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós
(η^6^-Arylhimachalene)tricarbonylchromium(0)
Acta Crystallographica Section C
1,999
55
361
363
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bahija Abouhamza; Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós (η^6^-Arylhimachalene)tricarbonylchromium(0) Acta Crystallographica Section C 55 (1999) 361-363
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/82/2008277.cif $ #-------------------------------------------------------------------...
2,008,278
17.46
0.004
14.33
0.003
10.25
0.002
90
null
96.73
0.03
90
null
2,546.9
0.9
223
2
293
2
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
Hexacesium-hexatellurodistannate(III)
Hexacesium-hexatellurodistannate(III)
- Cs6 Sn2 Te6 -
- Cs6 Sn2 Te6 -
- Cs24 Sn8 Te24 -
4
0.5
LN1072
Friede, Bernd; Jansen, Martin
Cs~6~Sn~2~Te~6~, a new telluridodistannate(III)
Acta Crystallographica Section C
1,999
55
3
282
284
10.1107/S0108270198014681
0.71073
MoKα
0.0345
0.0265
null
null
null
0.0613
null
null
null
null
null
1.199
null
null
has coordinates
Friede, Bernd; Jansen, Martin Cs~6~Sn~2~Te~6~, a new telluridodistannate(III) Acta Crystallographica Section C 55(3) (1999) 282-284
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/2/00/82/2008278.cif $ #-------------------------------------------------------------------...
2,008,279
6.039
0.002
9.587
0.003
12.598
0.006
80.32
0.03
77.51
0.02
89.48
0.03
701.7
0.5
293
2
293
2
null
null
null
null
3
P -1
-P 1
2
4-cyclohexyl-5-cyclohexylamine-tetrazole
- C13 H23 N5 -
- C13 H23 N5 -
- C26 H46 N10 -
2
1
NA1380
Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun
1-Cyclohexyl-5-cyclohexylaminotetrazole
Acta Crystallographica Section C
1,999
55
3
393
395
10.1107/S0108270198012888
0.71073
MoKα
0.0693
0.0547
null
0.1557
0.1447
null
null
null
1.021
1.104
1.104
null
null
null
has coordinates
Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun 1-Cyclohexyl-5-cyclohexylaminotetrazole Acta Crystallographica Section C 55(3) (1999) 393-395
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008279.cif $ #-------------------------------------------------------------------...
4,322,020
16.063
0.003
15.895
0.003
19.703
0.004
90
null
107.11
0.03
90
null
4,808
1.8
183
2
293
2
null
null
null
null
6
I 1 2/a 1
-I 2ya
15
6,13-Diethoxycarbonyl-7,12-dimethyl-1,4,8,11-tetraazacyclotetradeka- 5,7,12,14-tetraenato-iron(III)-ioded
- C21.5 H10 Fe I N4 O4 -
- C21.5 H30 Fe I N4 O4 -
- C172 H240 Fe8 I8 N32 O32 -
8
1
Heike Keutel; Indira Käpplinger; Ernst-Gottfried Jäger; Michael Grodzicki; Volker Schünemann; Alfred Xaver Trautwein
Structural, Magnetic, and Electronic Properties of a Pentacoordinated Intermediate-Spin (S=3/2) Iron(III) Complex with a Macrocyclic [N4]2-Ligand
Inorganic Chemistry
1,999
38
2320
2327
10.1021/ic981276z
0.71073
MoKα
0.0869
0.0389
null
0.1201
0.0833
null
null
null
1.094
1.024
1.024
null
null
null
has coordinates
Heike Keutel; Indira Käpplinger; Ernst-Gottfried Jäger; Michael Grodzicki; Volker Schünemann; Alfred Xaver Trautwein Structural, Magnetic, and Electronic Properties of a Pentacoordinated Intermediate-Spin (S=3/2) Iron(III) Complex with a Macrocyclic [N4]2-Ligand Inorganic Chemistry 38 (1999) 2320-2327
179,323
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322020.cif $ #-------------------------------------------------------------------...
2,008,280
10.19
0.009
19.104
0.009
12.808
0.009
90
null
110.67
0.06
90
null
2,333
3
298
2
298
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C27 H24 S Sn -
- C27 H24 S Sn -
- C108 H96 S4 Sn4 -
4
1
NA1382
Bruhn, Clemens; Steinborn, Dirk; Lébl, Tomáš; Holeček, Jaroslav
(<i>Z</i>)- and (<i>E</i>)-1-methylthio-1-triphenylstannyl-2-phenylethene
Acta Crystallographica Section C
1,999
55
3
363
365
10.1107/S0108270198015200
0.71073
MoKα
0.048
0.044
null
0.098
0.094
null
null
null
1.16
1.167
1.167
null
null
null
has coordinates
Bruhn, Clemens; Steinborn, Dirk; Lébl, Tomáš; Holeček, Jaroslav (<i>Z</i>)- and (<i>E</i>)-1-methylthio-1-triphenylstannyl-2-phenylethene Acta Crystallographica Section C 55(3) (1999) 363-365
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/2/00/82/2008280.cif $ #-------------------------------------------------------------------...
2,008,281
9.5512
0.0008
11.0433
0.0008
12.3793
0.001
83.38
0.008
81.737
0.008
67.018
0.007
1,187.1
0.18
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
- C27 H24 S Sn -
- C27 H24 S Sn -
- C54 H48 S2 Sn2 -
2
1
NA1382
Bruhn, Clemens; Steinborn, Dirk; Lébl, Tomáš; Holeček, Jaroslav
(<i>Z</i>)- and (<i>E</i>)-1-methylthio-1-triphenylstannyl-2-phenylethene
Acta Crystallographica Section C
1,999
55
3
363
365
10.1107/S0108270198015200
0.71073
MoKα
0.077
0.051
null
0.189
0.132
null
null
null
1.239
1.008
1.008
null
null
null
has coordinates
Bruhn, Clemens; Steinborn, Dirk; Lébl, Tomáš; Holeček, Jaroslav (<i>Z</i>)- and (<i>E</i>)-1-methylthio-1-triphenylstannyl-2-phenylethene Acta Crystallographica Section C 55(3) (1999) 363-365
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/2/00/82/2008281.cif $ #-------------------------------------------------------------------...
2,008,282
8.3987
0.0015
6.89
0.004
17.8585
0.0015
90
null
90.868
0.011
90
null
1,033.3
0.6
296.2
null
296.2
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C28 H16 N2 O4 -
- C28 H16 N2 O4 -
- C56 H32 N4 O8 -
2
0.5
OA1075
Okuyama, Kenji; Rozhanskii, Igor; Goto, Kohei
Bilayered structure of <i>N</i>,<i>N</i>'-diphenyl-4,4'-biphthalimide
Acta Crystallographica Section C
1,999
55
3
424
425
10.1107/S0108270198013080
0.7107
MoKα
null
0.0487
null
null
0.0668
null
null
null
null
1.145
1.145
null
null
null
has coordinates
Okuyama, Kenji; Rozhanskii, Igor; Goto, Kohei Bilayered structure of <i>N</i>,<i>N</i>'-diphenyl-4,4'-biphthalimide Acta Crystallographica Section C 55(3) (1999) 424-425
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008282.cif $ #-------------------------------------------------------------------...
2,008,283
5.4508
0.0012
10.2229
0.0012
8.883
0.0017
90
null
91.5
0.02
90
null
494.82
0.16
298
2
298
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
indium phosphate dihydrate
Indium phosphate dihydrate
- H4 In O6 P -
- H4 In O6 P -
- H16 In4 O24 P4 -
4
1
OH1113
Sugiyama, Kazumasa; Yu, Jihong; Hiraga, Kenji; Terasaki, Osamu
Monoclinic InPO~4~^.^2H~2~O
Acta Crystallographica Section C
1,999
55
3
279
281
10.1107/S010827019801292X
0.71069
MoKα
0.04
0.028
null
null
null
0.068
null
null
null
null
null
1.071
null
null
has coordinates
Sugiyama, Kazumasa; Yu, Jihong; Hiraga, Kenji; Terasaki, Osamu Monoclinic InPO~4~^.^2H~2~O Acta Crystallographica Section C 55(3) (1999) 279-281
282,548
2023-04-10
20:38:56
#------------------------------------------------------------------------------ #$Date: 2023-04-10 23:38:45 +0300 (Mon, 10 Apr 2023) $ #$Revision: 282548 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/82/2008283.cif $ #-------------------------------------------------------------------...
2,008,284
7.118
0.001
20.894
0.001
7.768
0.002
90
null
92.2
0.03
90
null
1,154.4
0.3
293
2
293
2
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C13 H15 N3 -
- C13 H15 N3 -
- C52 H60 N12 -
4
1
OS1029
S. Selladurai; R. Chandrasekaran; L. Govindasamy; P. Murugan; V. T. Ramakrishnan
2-[3-(Pyrrolidin-1-yl)cyclohex-2-en-1-ylidene]propanedinitrile
Acta Crystallographica Section C
1,999
55
3
401
403
10.1107/S0108270198009627
1.5418
CuKα
0.0629
0.059
null
0.1881
0.172
null
null
null
0.994
1.013
1.013
null
null
null
has coordinates,has Fobs
S. Selladurai; R. Chandrasekaran; L. Govindasamy; P. Murugan; V. T. Ramakrishnan 2-[3-(Pyrrolidin-1-yl)cyclohex-2-en-1-ylidene]propanedinitrile Acta Crystallographica Section C 55(3) (1999) 401-403
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008284.cif $ #-------------------------------------------------------------------...
2,008,285
5.776
0.008
12.599
0.005
15.288
0.005
90
null
90
null
90
null
1,112.5
1.6
293
2
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C12 H15 N O2 -
- C12 H15 N O2 -
- C48 H60 N4 O8 -
4
1
QA0083
Kumar, G. Biju; Shah, Amrish C.; Cardin, Christine J.; Trenkle, Markus
A substituted isoindolin-1-one derived from (<i>R</i>)-(–)-2-amino-1-butanol
Acta Crystallographica Section C
1,999
55
3
IUC9900019
10.1107/S0108270199099758
0.71073
MoKα
0.056
0.04
null
0.135
0.092
null
null
null
1
1.018
1.018
null
null
null
has coordinates
Kumar, G. Biju; Shah, Amrish C.; Cardin, Christine J.; Trenkle, Markus A substituted isoindolin-1-one derived from (<i>R</i>)-(–)-2-amino-1-butanol Acta Crystallographica Section C 55(3) (1999) IUC9900019
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008285.cif $ #-------------------------------------------------------------------...
2,008,286
17.836
0.004
9.805
0.002
5.813
0.001
90
null
90
null
90
null
1,016.6
0.4
103
2
103
2
null
null
null
null
2
P n m a
-P 2ac 2n
62
2,2,5,5-tetramethyl-hex-3-yne
- C10 H18 -
- C10 H18 -
- C40 H72 -
4
0.5
QA0089
Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja
2,2,5,5-Tetramethylhex-3-yne at 281K
Acta Crystallographica Section C
1,999
55
3
IUC9900016
10.1107/S0108270199099746
0.71073
MoKα
0.063
0.05
null
null
null
0.145
null
null
null
null
null
1.046
null
null
has coordinates
Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja 2,2,5,5-Tetramethylhex-3-yne at 281K Acta Crystallographica Section C 55(3) (1999) IUC9900016
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008286.cif $ #-------------------------------------------------------------------...
4,322,019
25.079
0.005
21.639
0.004
17.325
0.004
90
null
115.61
0.03
90
null
8,478
4
173
2
173
2
null
null
null
null
8
C 1 2/c 1
-C 2yc
15
- C24 H56 B2 F8 N12 O4 P4 Pt -
- C24 H56 B2 F8 N12 O4 P4 Pt -
- C192 H448 B16 F64 N96 O32 P32 Pt8 -
8
1
Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies
Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides
Inorganic Chemistry
1,999
38
2473
2481
10.1021/ic981243j
1.54184
CuKα
0.1665
0.0828
null
0.1914
0.1771
null
null
null
1.194
1.467
1.467
null
null
null
has coordinates
Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides Inorganic Chemistry 38 (1999) 2473-2481
179,323
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322019.cif $ #-------------------------------------------------------------------...
2,008,287
7.5623
0.0002
19.8757
0.0006
21.2828
0.0006
90
null
90
null
90
null
3,198.93
0.16
293
2
293
2
null
null
null
null
6
P b c a
-P 2ac 2ab
61
Ethyl-1-(2-chlorophenyl)-4,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione- 5-carboxylate
- C15 H17 Cl N2 O2 S -
- C15 H17 Cl N2 O2 S -
- C120 H136 Cl8 N16 O16 S8 -
8
1
QA0090
Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan
Ethyl 1-(2-chlorophenyl)-4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Acta Crystallographica Section C
1,999
55
3
IUC9900017
10.1107/S0108270199099734
0.71073
MoKα
0.071
0.06
null
null
null
0.15
null
null
null
null
null
1.211
null
null
has coordinates
Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan Ethyl 1-(2-chlorophenyl)-4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate Acta Crystallographica Section C 55(3) (1999) IUC9900017
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008287.cif $ #-------------------------------------------------------------------...
2,008,288
11.078
0.001
11.078
0.001
16.231
0.001
90
null
90
null
90
null
1,991.9
0.3
173
2
173
2
null
null
null
null
5
I 4/m
-I 4
87
- C8 H24 Ca Cu O14 -
- C8 H24 Ca Cu O14 -
- C32 H96 Ca4 Cu4 O56 -
4
0.25
QA0093
El-Bali, Brahim; Bolte, Michael
Redetermination of [CaCu(C~2~H~3~O~2~)~4~(H~2~ O)~2~]^.^6H~2~O at 173 K
Acta Crystallographica Section C
1,999
55
3
IUC9900015
10.1107/S0108270199099771
0.71073
MoKα
0.025
0.02
null
null
null
0.056
null
null
null
null
null
1.073
null
null
has coordinates
El-Bali, Brahim; Bolte, Michael Redetermination of [CaCu(C~2~H~3~O~2~)~4~(H~2~ O)~2~]^.^6H~2~O at 173 K Acta Crystallographica Section C 55(3) (1999) IUC9900015
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/2/00/82/2008288.cif $ #-------------------------------------------------------------------...
2,008,289
9.789
0.007
12.754
0.003
24.586
0.009
90
null
90
null
90
null
3,070
3
293
2
293
2
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
C14-oxygenated taxoid
Taxa-4(20),11-diene-2α,5α,10β,14β-tetrayl 2α,5α,10β-triacetate 14β-(2-methylbutyrate)
- C31 H46 O8 -
- C31 H46 O8 -
- C124 H184 O32 -
4
1
QA0094
Chattopadhyay, Sunil K.; Sarkhel, Sanjay; Kulshrestha, Manish; Maulik, Prakas R.
A C-14 oxygenated taxoid from the heartwood of <i>Taxus wallichiana</i>
Acta Crystallographica Section C
1,999
55
3
IUC9900014
10.1107/S0108270199099722
0.71073
MoKα
0.1324
0.0665
null
0.2701
0.1886
null
null
null
0.731
0.805
0.805
null
null
null
has coordinates
Chattopadhyay, Sunil K.; Sarkhel, Sanjay; Kulshrestha, Manish; Maulik, Prakas R. A C-14 oxygenated taxoid from the heartwood of <i>Taxus wallichiana</i> Acta Crystallographica Section C 55(3) (1999) IUC9900014
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008289.cif $ #-------------------------------------------------------------------...
2,008,290
19.263
0.002
11.285
0.002
30.361
0.005
90
null
104.96
0.01
90
null
6,376.3
1.7
213
2
213
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
μ-oxobis[(trimethylphosphine-P)(trimethylphosphine oxide-O)dichloro- oxomolybdenum(V)] diethylether semisolvate
- C14 H41 Cl4 Mo2 O5.5 P4 -
- C14 H41 Cl4 Mo2 O5.5 P4 -
- C112 H328 Cl32 Mo16 O44 P32 -
8
2
QB0081
Cotton, F. Albert; Daniels, Lee M.; Herrero, Santiago
μ-Oxo-bis[dichlorooxo(trimethylphosphine-<i>P</i>)(trimethylphosphine oxide-<i>O</i>)molybdenum(V)] diethyl ether hemisolvate
Acta Crystallographica Section C
1,999
55
3
IUC9900018
10.1107/S010827019909976X
0.71073
MoKα
0.093
0.062
null
0.147
0.117
null
null
null
1.203
1.137
1.137
null
null
null
has coordinates
Cotton, F. Albert; Daniels, Lee M.; Herrero, Santiago μ-Oxo-bis[dichlorooxo(trimethylphosphine-<i>P</i>)(trimethylphosphine oxide-<i>O</i>)molybdenum(V)] diethyl ether hemisolvate Acta Crystallographica Section C 55(3) (1999) IUC9900018
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/2/00/82/2008290.cif $ #-------------------------------------------------------------------...
2,008,291
9.83
0.003
23.121
0.002
15.701
0.001
90
null
105.95
0.01
90
null
3,431.1
1.1
293
2
293
2
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
Chloro{rac,trans-[1-(chloro{piperidin-1-yl})phosphino-2-bis(piperidin-1-yl)- phosphino]cyclopentane}neopentylplatinum(II) Acetone Solvate
- C28 H55 Cl2 N3 O P2 Pt -
- C28 H55 Cl2 N3 O P2 Pt -
- C112 H220 Cl8 N12 O4 P8 Pt4 -
4
1
SK1171
Dahlenburg, Lutz; Mertel, Stefan
Chiral bisphosphanes. V. Chloro{<i>rac</i>,<i>trans</i>-1-[chloro(piperidin-1-yl)phosphino]-2-[bis(piperidin-1-yl)phosphino]cyclopentane-<i>P</i>,<i>P</i>'}neopentylplatinum(II) acetone solvate
Acta Crystallographica Section C
1,999
55
3
347
349
10.1107/S010827019801498X
0.7107
MoKα
null
0.061
null
0.103
null
0.1
null
null
1.041
null
null
1.015
null
null
has coordinates,has Fobs
Dahlenburg, Lutz; Mertel, Stefan Chiral bisphosphanes. V. Chloro{<i>rac</i>,<i>trans</i>-1-[chloro(piperidin-1-yl)phosphino]-2-[bis(piperidin-1-yl)phosphino]cyclopentane-<i>P</i>,<i>P</i>'}neopentylplatinum(II) acetone solvate Acta Crystallographica Section C 55(3) (1999) 347-349
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/2/00/82/2008291.cif $ #-------------------------------------------------------------------...
4,322,018
19.8476
0.0019
19.8476
0.0019
19.8476
0.0019
90
null
90
null
90
null
7,818.5
1.3
193
2
193
2
null
null
null
null
7
F d -3 :2
-F 2uv 2vw 3
203
- C24 H60 Cl N12 O6 P4 Pt -
- C24 H60 Cl N12 O6 P4 Pt -
- C192 H480 Cl8 N96 O48 P32 Pt8 -
8
0.083333
Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies
Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides
Inorganic Chemistry
1,999
38
2473
2481
10.1021/ic981243j
0.71073
MoKα
0.0793
0.057
null
null
0.1132
0.1255
null
null
null
null
null
1.024
null
null
has coordinates
Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides Inorganic Chemistry 38 (1999) 2473-2481
301,838
2025-08-20
22:17:36
#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322018.cif $ #-------------------------------------------------------------------...
2,008,292
14.91
0.002
10.299
0.001
15.184
0.001
90
0.01
92.93
0.01
90
0.01
2,328.6
0.4
293
2
293
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
5-ethoxycarbonylmethyl-1-ethyl-2,3,4,6,7,12-hexahydroindolo[2,3-a] quinolizin-5-ium trifluoromethanesulfonate
- C22 H27 F3 N2 O5 S -
- C22 H27 F3 N2 O5 S -
- C88 H108 F12 N8 O20 S4 -
4
1
SK1208
Bombicz, Petra; Kálmán, Alajos
Crystallographic evidence of the formation of an <i>N</i>-alkylated enammonium salt: 5-ethoxycarbonylmethyl-1-ethyl-2,3,6,7-tetrahydro-4<i>H</i>,12<i>H</i>-indolo[2,3-<i>a</i>]quinolizin-5-ium trifluoromethanesulfonate
Acta Crystallographica Section C
1,999
55
3
454
455
10.1107/S0108270198013936
1.54178
CuKα
0.0635
0.0505
null
0.1609
null
0.1543
null
null
1.083
null
null
1.116
null
null
has coordinates,has disorder
Bombicz, Petra; Kálmán, Alajos Crystallographic evidence of the formation of an <i>N</i>-alkylated enammonium salt: 5-ethoxycarbonylmethyl-1-ethyl-2,3,6,7-tetrahydro-4<i>H</i>,12<i>H</i>-indolo[2,3-<i>a</i>]quinolizin-5-ium trifluoromethanesulfonate Acta Crystallographica Section C 55(3) (1999) 454-455
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/2/00/82/2008292.cif $ #-------------------------------------------------------------------...
2,008,293
7.862
0.0008
19.526
0.002
10.469
0.001
90
0.009
105.15
0.01
90
0.009
1,551.3
0.3
293
null
293
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
N N'-bis(2-methoxyethyl)pyromellitimide
2,6-bis(3oxabutyl)pyrrolo[3,4f]isoindole-1,3,5,7 tetraone
- C16 H16 N2 O6 -
- C16 H16 N2 O6 -
- C64 H64 N8 O24 -
4
1
SK1219
Bernadette Suchod; Jean-Pierre Curtet; David Djurado; Michel Armand
<i>N,N</i>'-Bis(2-methoxyethyl)pyromellitimide
Acta Crystallographica Section C
1,999
55
3
445
446
10.1107/S0108270198013997
0.71073
MoKα
0.072
0.044
null
0.04
0.036
null
null
null
1.345
null
null
1.526
null
null
has coordinates
Bernadette Suchod; Jean-Pierre Curtet; David Djurado; Michel Armand <i>N,N</i>'-Bis(2-methoxyethyl)pyromellitimide Acta Crystallographica Section C 55(3) (1999) 445-446
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008293.cif $ #-------------------------------------------------------------------...
2,008,294
14.465
0.001
8.3997
0.0004
9.4614
0.0004
90
null
97.74
0.01
90
null
1,139.1
0.11
293
2
293
2
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
dicesium trimolybdate
- Cs2 Mo3 O10 -
- Cs2 Mo3 O10 -
- Cs8 Mo12 O40 -
4
0.5
SK1225
Enjalbert, Renée; Guinneton, Frédéric; Galy, Jean
Cs~2~Mo~3~O~10~
Acta Crystallographica Section C
1,999
55
3
273
276
10.1107/S0108270198012979
0.71069
MoKα
0.042
0.028
null
0.079
0.075
null
null
null
1.079
1.165
1.165
null
null
null
has coordinates
Enjalbert, Renée; Guinneton, Frédéric; Galy, Jean Cs~2~Mo~3~O~10~ Acta Crystallographica Section C 55(3) (1999) 273-276
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/2/00/82/2008294.cif $ #-------------------------------------------------------------------...
2,008,295
10.3121
0.0004
11.3409
0.0007
12.7787
0.0008
113.224
0.005
101.056
0.004
102.401
0.004
1,276.1
0.15
298
2
298
2
null
null
null
null
5
P -1
-P 1
2
Bis(diisopropylammonium) bis(oxalatotriphenylstannate)
- C26 H31 N O4 Sn -
- C26 H31 N O4 Sn -
- C52 H62 N2 O8 Sn2 -
2
1
SK1232
Ng, Seik Weng; Hook, James M.
Diisopropylammonium oxalatotriphenylstannate
Acta Crystallographica Section C
1,999
55
3
310
312
10.1107/S0108270198011858
0.71073
MoKα
0.0377
0.0275
null
null
null
0.0656
null
null
null
null
null
0.999
null
null
has coordinates
Ng, Seik Weng; Hook, James M. Diisopropylammonium oxalatotriphenylstannate Acta Crystallographica Section C 55(3) (1999) 310-312
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/2/00/82/2008295.cif $ #-------------------------------------------------------------------...
2,008,296
9.6433
0.0006
21.545
0.002
25.366
0.002
101.73
0.006
93.312
0.005
96.534
0.006
5,108.8
0.7
298
2
298
2
null
null
null
null
6
P -1
-P 1
2
Aquatriphenyl-μ-(N,N-3-oxapentamethylenethiocarbamoylthioacetato)tin- triphenyl(N,N-3-oxapentametheylenethiocarbamoylthioacetato)tin
- C50 H52 N2 O7 S4 Sn2 -
- C50 H52 N2 O7 S4 Sn2 -
- C200 H208 N8 O28 S16 Sn8 -
4
2
SK1237
Ng, Seik Weng; Hook, James M.
Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)
Acta Crystallographica Section C
1,999
55
3
312
316
10.1107/S0108270198013092
0.71073
MoKα
0.084
0.048
null
null
null
0.116
null
null
null
null
null
0.994
null
null
has coordinates,has Fobs
Ng, Seik Weng; Hook, James M. Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate) Acta Crystallographica Section C 55(3) (1999) 312-316
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/2/00/82/2008296.cif $ #-------------------------------------------------------------------...
4,322,017
23.046
0.005
7.508
0.0015
23.808
0.005
90
null
90
null
90
null
4,119.5
1.5
293
2
293
2
null
null
null
null
6
C m c a
-C 2ac 2
64
- C14 H26 N6 Ni O3 P2 -
- C14 H26 N6 Ni O3 P2 -
- C112 H208 N48 Ni8 O24 P16 -
8
null
Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies
Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides
Inorganic Chemistry
1,999
38
2473
2481
10.1021/ic981243j
0.71073
MoKα
0.0752
0.0665
null
0.2465
0.2279
null
null
null
1.981
2.01
2.01
null
null
null
has coordinates
Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides Inorganic Chemistry 38 (1999) 2473-2481
179,323
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322017.cif $ #-------------------------------------------------------------------...
2,008,297
20.771
0.001
9.1734
0.0006
22.756
0.002
90
null
90
null
90
null
4,335.9
0.5
298
2
298
2
null
null
null
null
5
P b c a
-P 2ac 2ab
61
Bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbomylthioacetate)
- C19 H34 N2 O3 S2 -
- C19 H34 N2 O3 S2 -
- C152 H272 N16 O24 S16 -
8
1
SK1237
Ng, Seik Weng; Hook, James M.
Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)
Acta Crystallographica Section C
1,999
55
3
312
316
10.1107/S0108270198013092
0.71073
MoKα
0.107
0.052
null
null
null
0.131
null
null
null
null
null
1.012
null
null
has coordinates,has Fobs
Ng, Seik Weng; Hook, James M. Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate) Acta Crystallographica Section C 55(3) (1999) 312-316
196,234
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-05-05 08:49:52 +0300 (Fri, 05 May 2017) $ #$Revision: 196234 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/82/2008297.cif $ #-------------------------------------------------------------------...
2,008,298
7.506
0.001
29.143
0.002
9.832
0.001
90
null
99.04
0.01
90
null
2,124
0.4
130
null
130
null
null
null
null
null
4
I 1 a 1
I -2ya
9
- C24 H16 N2 O8 -
- C24 H16 N2 O8 -
- C96 H64 N8 O32 -
4
1
SK1240
Meetsma, Auke; Keller, Erik; Feringa, Ben L.
(±)-6,6'-Dinitro-1,1'-binaphthyl 2,2'-diacetate
Acta Crystallographica Section C
1,999
55
3
450
452
10.1107/S0108270198013109
0.71073
MoKα
0.0371
0.0321
null
null
null
0.0825
null
null
null
null
null
1.041
null
null
has coordinates
Meetsma, Auke; Keller, Erik; Feringa, Ben L. (±)-6,6'-Dinitro-1,1'-binaphthyl 2,2'-diacetate Acta Crystallographica Section C 55(3) (1999) 450-452
301,791
2025-08-18
23:15:32
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2,008,299
10.8952
0.0017
9.9647
0.001
16.288
0.004
90
null
93.982
0.012
90
null
1,764.1
0.5
294
1
294
1
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
2,2'-Biphenol–4,4'-bipyridyl (1/1)
- C22 H18 N2 O2 -
- C22 H18 N2 O2 -
- C88 H72 N8 O8 -
4
1
SK1245
Lavender, Emma S.; Ferguson, George; Glidewell, Christopher
Self-assembled triple helices in the hydrogen-bonded structure of 2,2'-biphenol–4,4'-bipyridyl (1/1)
Acta Crystallographica Section C
1,999
55
3
430
432
10.1107/S0108270198012980
0.71073
MolybdenumKα
0.1111
0.0377
null
null
null
0.1039
null
null
null
null
null
0.905
null
null
has coordinates,has Fobs
Lavender, Emma S.; Ferguson, George; Glidewell, Christopher Self-assembled triple helices in the hydrogen-bonded structure of 2,2'-biphenol–4,4'-bipyridyl (1/1) Acta Crystallographica Section C 55(3) (1999) 430-432
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/82/2008299.cif $ #-------------------------------------------------------------------...
2,008,300
4.0188
0.0003
4.0188
0.0003
9.72
0.001
90
null
90
null
90
null
156.99
0.02
293
2
293
2
null
null
null
null
3
P 4/m m m
-P 4 2
123
Potassium tetracopper triselenide
- Cu4 K Se3 -
- Cu4 K Se3 -
- Cu4 K Se3 -
1
0.0625
SK1247
Stoll, Petra; Näther, Christian; Jeß, Inke; Bensch, Wolfgang
KCu~4~Se~3~
Acta Crystallographica Section C
1,999
55
3
286
288
10.1107/S0108270198014358
0.71073
MoKα
0.028
0.024
null
0.062
0.06
null
null
null
1.17
1.186
1.186
null
null
null
has coordinates
Stoll, Petra; Näther, Christian; Jeß, Inke; Bensch, Wolfgang KCu~4~Se~3~ Acta Crystallographica Section C 55(3) (1999) 286-288
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/2/00/83/2008300.cif $ #-------------------------------------------------------------------...
2,008,301
7.716
0.002
8.597
0.002
12.54
0.003
80.19
0.03
74.83
0.03
81.74
0.03
786.8
0.4
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C32 H16 Ge I4 N8 -
- C32 H16 Ge I4 N8 -
- C32 H16 Ge I4 N8 -
1
0.5
SK1249
Jan Janczak; Mariola Razik; Ryszard Kubiak
Diiodo[phthalocyaninato(2‒)]germanium(IV) diiodine
Acta Crystallographica Section C
1,999
55
3
359
361
10.1107/S0108270198015716
0.71073
MoKα
0.091
0.037
null
null
null
0.077
null
null
null
null
null
0.925
null
null
has coordinates
Jan Janczak; Mariola Razik; Ryszard Kubiak Diiodo[phthalocyaninato(2‒)]germanium(IV) diiodine Acta Crystallographica Section C 55(3) (1999) 359-361
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/2/00/83/2008301.cif $ #-------------------------------------------------------------------...
2,008,302
7.941
0.003
17.481
0.002
14.511
0.003
90
null
90
null
90
null
2,014.4
0.9
294
1
294
1
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
[(3R,4S,4aR,10aS)-5,10-diacetyl-3,4,4a,5,6,7,10a,10-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin]-3,4-diyl diacetate
- C18 H22 N4 O9 -
- C18 H22 N4 O9 -
- C72 H88 N16 O36 -
4
1
SK1253
Low, John N.; M. Dolores López; M. Luisa Quijano; Sánchez, Adolfo; Nogueras, Manuel
(3<i>R</i>,4<i>S</i>,4a<i>R</i>,10a<i>S</i>)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo-2<i>H</i>-pyrano[3,2-<i>g</i>]pteridin-3,4-diyl diacetate
Acta Crystallographica Section C
1,999
55
3
452
454
10.1107/S0108270198014371
0.71073
MoKα
0.054
0.039
null
null
null
0.084
null
null
null
null
null
0.837
null
null
has coordinates,has Fobs
Low, John N.; M. Dolores López; M. Luisa Quijano; Sánchez, Adolfo; Nogueras, Manuel (3<i>R</i>,4<i>S</i>,4a<i>R</i>,10a<i>S</i>)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo-2<i>H</i>-pyrano[3,2-<i>g</i>]pteridin-3,4-diyl diacetate Acta Crystallographica Section C 55(3) (1999) 452-454
176,759
2020-10-21
18:00:00
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4,322,016
10.796
0.003
21.225
0.003
12.677
0.002
90
null
100.49
0.02
90
null
2,856.3
1
293
2
293
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C19 H42 Cl2 N9 O2 P3 Pd -
- C19 H42 Cl2 N9 O2 P3 Pd -
- C76 H168 Cl8 N36 O8 P12 Pd4 -
4
1
Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies
Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides
Inorganic Chemistry
1,999
38
2473
2481
10.1021/ic981243j
0.71073
MoKα
0.0785
0.0606
null
0.2514
0.1748
null
null
null
0.904
0.706
0.706
null
null
null
has coordinates
Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides Inorganic Chemistry 38 (1999) 2473-2481
179,323
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322016.cif $ #-------------------------------------------------------------------...
2,008,303
36.925
0.004
36.925
0.004
8.256
0.002
90
null
90
null
120
null
9,749
3
273
2
273
2
null
null
null
null
6
R -3 :H
-R 3
148
hexanoyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate
- C19 H23 Cl N2 O7 S -
- C19 H23 Cl N2 O7 S -
- C342 H414 Cl18 N36 O126 S18 -
18
1
SX1070
Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi
Two absorption furosemide prodrugs
Acta Crystallographica Section C
1,999
55
3
413
416
10.1107/S010827019801213X
0.71069
MoKα
0.1034
0.0561
null
null
null
0.1994
null
null
null
null
null
1.039
null
null
has coordinates
Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi Two absorption furosemide prodrugs Acta Crystallographica Section C 55(3) (1999) 413-416
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/2/00/83/2008303.cif $ #-------------------------------------------------------------------...
2,008,304
7.836
0.002
17.605
0.01
15.4951
0.0018
90
null
94.026
0.016
90
null
2,132.3
1.4
293
2
293
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
benzoyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate
- C20 H17 Cl N2 O7 S -
- C20 H17 Cl N2 O7 S -
- C80 H68 Cl4 N8 O28 S4 -
4
1
SX1070
Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi
Two absorption furosemide prodrugs
Acta Crystallographica Section C
1,999
55
3
413
416
10.1107/S010827019801213X
0.7107
MoKα
0.0931
0.0633
null
null
null
0.2155
null
null
null
null
null
1.041
null
null
has coordinates
Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi Two absorption furosemide prodrugs Acta Crystallographica Section C 55(3) (1999) 413-416
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/83/2008304.cif $ #-------------------------------------------------------------------...
2,008,305
16.517
0.003
23.533
0.005
5.1124
0.0006
90
null
90
null
90
null
1,987.2
0.6
293
2
290
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
d[gamma]afg
Retro-enantiomeric [gammaCONH]-achatin-I, H-D-Asp-[γCONH]-D-Ala-L-Phe-Gly-OH
- C18 H24 N4 O7 -
- C18 H24 N4 O7 -
- C72 H96 N16 O28 -
4
1
SX1074
Doi, Mitsunobu; Asano, Akiko; Ishida, Toshimasa; Minakata, Hiroyuki; Nomoto, Kyosuke
A β-turn retro-enantiomeric analogue of achatin-I, H‒<small>D</small>-Asp-[γCONH]-<small>D</small>-Ala‒<small>L</small>-Phe‒Gly‒OH
Acta Crystallographica Section C
1,999
55
3
422
424
10.1107/S0108270198012141
1.5418
CuKα
0.061
0.045
null
null
null
0.143
null
null
null
null
null
1.134
null
null
has coordinates
Doi, Mitsunobu; Asano, Akiko; Ishida, Toshimasa; Minakata, Hiroyuki; Nomoto, Kyosuke A β-turn retro-enantiomeric analogue of achatin-I, H‒<small>D</small>-Asp-[γCONH]-<small>D</small>-Ala‒<small>L</small>-Phe‒Gly‒OH Acta Crystallographica Section C 55(3) (1999) 422-424
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/2/00/83/2008305.cif $ #-------------------------------------------------------------------...
2,008,306
9.8951
0.0004
16.243
0.0007
25.0787
0.001
90
null
90.444
0.001
90
null
4,030.7
0.3
293
2
293
2
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
bis(μ-benzenethiolato-S:S)hexacarbonyl-μ-iodo-dimolybdenum(I)(Mo—Mo)
- C34 H46 I Mo2 N O6 S2 -
- C34 H46 I Mo2 N O6 S2 -
- C136 H184 I4 Mo8 N4 O24 S8 -
4
1
TA1215
Pan, Guohua; Zhuang, Botao; Chen, Jiutong
A mixed tribridging dimolybdenum(I) compound, bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-iodo-dimolybdenum(I)(<i>Mo</i>—<i>Mo</i>)
Acta Crystallographica Section C
1,999
55
3
297
298
10.1107/S0108270198012025
0.71073
MoKα
0.09
0.051
null
0.089
0.078
null
null
null
1.054
1.124
1.124
null
null
null
has coordinates,has Fobs
Pan, Guohua; Zhuang, Botao; Chen, Jiutong A mixed tribridging dimolybdenum(I) compound, bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-iodo-dimolybdenum(I)(<i>Mo</i>—<i>Mo</i>) Acta Crystallographica Section C 55(3) (1999) 297-298
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/2/00/83/2008306.cif $ #-------------------------------------------------------------------...
2,008,307
14.4791
0.0002
12.9825
0.0002
24.4658
0.0003
90
null
104.79
0.001
90
null
4,446.58
0.11
293
2
293
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
tetrabutylammonium bis(μ-benzenethiolato-S:S)hexacarbonyl-μ-pivalate-O:O'-dimolybdenum(Mo—Mo)
- C39 H55 Mo2 N O8 S2 -
- C39 H55 Mo2 N O8 S2 -
- C156 H220 Mo8 N4 O32 S8 -
4
1
TA1216
Pan, Guohua; Zhuang, Botao; Chen, Jiutong
A dimolybdenum(I) carbonyl compound with thiolate and carboxylate bridges: tetrabutylammonium bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-pivalate-<i>O</i>:<i>O</i>'-dimolybdenum(<i>Mo</i>—<i>Mo</i>)
Acta Crystallographica Section C
1,999
55
3
298
300
10.1107/S0108270198012037
0.71073
MoKα
0.082
0.052
null
0.135
0.117
null
null
null
1.011
1.044
1.044
null
null
null
has coordinates,has Fobs
Pan, Guohua; Zhuang, Botao; Chen, Jiutong A dimolybdenum(I) carbonyl compound with thiolate and carboxylate bridges: tetrabutylammonium bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-pivalate-<i>O</i>:<i>O</i>'-dimolybdenum(<i>Mo</i>—<i>Mo</i>) Acta Crystallographica Section C 55(3) (1999) 298-300
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/2/00/83/2008307.cif $ #-------------------------------------------------------------------...
4,322,015
9.708
0.001
9.708
0.001
16.566
0.002
90
null
90
null
120
null
1,352.1
0.3
199
2
199
2
null
null
null
null
5
P 31 2 1
P 31 2"
152
Bis(tricyclo(5.2.1.0^2.6^)deca-2,4-dienyl)iron(III) hexafluorophosphat
- C20 H22 F6 Fe P -
- C20 H22 F6 Fe P -
- C60 H66 F18 Fe3 P3 -
3
0.5
Irene Gattinger; Martin A. Herker; Wolfgang Hiller; Frank H. Köhler
Fusing Rigid Spin Probes to Paramagnetic Sandwiches. Synthesis, Crystal Structures, and NMR Spectroscopy of Bis(isodicyclopentadienyl)metal Compounds
Inorganic Chemistry
1,999
38
2359
2368
10.1021/ic9812407
0.71073
MoKα
0.0456
0.0439
null
0.1256
0.1239
null
null
null
1.08
1.086
1.086
null
null
null
has coordinates
Irene Gattinger; Martin A. Herker; Wolfgang Hiller; Frank H. Köhler Fusing Rigid Spin Probes to Paramagnetic Sandwiches. Synthesis, Crystal Structures, and NMR Spectroscopy of Bis(isodicyclopentadienyl)metal Compounds Inorganic Chemistry 38 (1999) 2359-2368
179,323
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322015.cif $ #-------------------------------------------------------------------...
2,008,308
12.355
0.003
11.645
0.003
12.75
0.003
90
null
117.407
0.016
90
null
1,628.5
0.7
293
2
293
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
N~1~,N~4~-Diformyl-t-5-methyl-r-2,t-3-diphenylpiperazine
- C19 H20 N2 O2 -
- C19 H20 N2 O2 -
- C76 H80 N8 O8 -
4
1
VJ1091
Laavanya. P; Panchanatheswaran. K; Murugadoss. R; Jeyaraman. R
1,4-Diformyl-<i>t</i>-5-methyl-<i>r</i>-2,<i>t</i>-3-diphenylpiperazine-1,4-dicarbaldehyde
Acta Crystallographica Section C
1,999
55
3
410
411
10.1107/S0108270198011779
1.5418
CuKα
0.0748
0.0627
null
null
null
0.2266
null
null
null
null
null
1.09
null
null
has coordinates
Laavanya. P; Panchanatheswaran. K; Murugadoss. R; Jeyaraman. R 1,4-Diformyl-<i>t</i>-5-methyl-<i>r</i>-2,<i>t</i>-3-diphenylpiperazine-1,4-dicarbaldehyde Acta Crystallographica Section C 55(3) (1999) 410-411
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/83/2008308.cif $ #-------------------------------------------------------------------...
2,008,309
6.698
0.001
7.171
0.001
30.604
0.005
90
null
90
null
90
null
1,470
0.4
293
2
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
- C16 H15 N O4 S -
- C16 H15 N O4 S -
- C64 H60 N4 O16 S4 -
4
1
BK1392
Kumaradhas, P.; Kalyanam, N.; Ravikumar, K.; Chandra Mohan, K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nirmala, K.A.
(+)-<i>cis</i>-3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-oxide
Acta Crystallographica Section C
1,999
55
4
614
615
10.1107/S0108270198012827
0.71073
MoKα
null
0.0438
null
null
0.0897
null
null
null
null
1.12
1.12
null
null
null
has coordinates
Kumaradhas, P.; Kalyanam, N.; Ravikumar, K.; Chandra Mohan, K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nirmala, K.A. (+)-<i>cis</i>-3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-oxide Acta Crystallographica Section C 55(4) (1999) 614-615
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/83/2008309.cif $ #-------------------------------------------------------------------...
2,008,310
13.657
0.001
14.464
0.001
11.014
0.001
90
null
112.104
0.003
90
null
2,015.7
0.3
293
2
298
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
2-N,N-dimethylamino-6-hydroxy-1,4-naphthoquinone
- C12 H11 N O3 -
- C12 H11 N O3 -
- C96 H88 N8 O24 -
8
2
BK1411
Doriguetto, Antônio C.; Santos, Cátia A.; Raslan, Délio S.; Fernandes, Nelson G.
2-(<i>N</i>,<i>N</i>-Dimethylamino)-6-hydroxy-1,4-naphthoquinone
Acta Crystallographica Section C
1,999
55
4
639
642
10.1107/S0108270198013213
0.71073
MoKα
0.0949
0.054
null
0.1534
null
0.0958
null
null
0.919
1.016
1.016
null
null
null
has coordinates,has Fobs
Doriguetto, Antônio C.; Santos, Cátia A.; Raslan, Délio S.; Fernandes, Nelson G. 2-(<i>N</i>,<i>N</i>-Dimethylamino)-6-hydroxy-1,4-naphthoquinone Acta Crystallographica Section C 55(4) (1999) 639-642
301,791
2025-08-18
23:15:32
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2,008,311
22.997
0.005
8.069
0.002
20.001
0.004
90
null
125
0.03
90
null
3,040.2
1.6
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
1-chloro-2,4-dimorpholino-5-nitrobenzene
- C14 H18 Cl N3 O4 -
- C14 H18 Cl N3 O4 -
- C112 H144 Cl8 N24 O32 -
8
1
BK1415
Zucco, César; Neves, Ademir; Vencato, Ivo; Szpoganicz, Bruno; Bertoldi, Fabiano C.
1-Chloro-2,4-dimorpholino-5-nitrobenzene
Acta Crystallographica Section C
1,999
55
4
654
656
10.1107/S0108270198014516
0.71073
MoKα
0.066
0.042
null
null
null
0.124
null
null
null
null
null
1.105
null
null
has coordinates
Zucco, César; Neves, Ademir; Vencato, Ivo; Szpoganicz, Bruno; Bertoldi, Fabiano C. 1-Chloro-2,4-dimorpholino-5-nitrobenzene Acta Crystallographica Section C 55(4) (1999) 654-656
301,791
2025-08-18
23:15:32
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4,322,014
9.736
0.001
9.736
0.001
16.75
0.001
90
null
90
null
120
null
1,375
0.2
205
2
205
2
null
null
null
null
5
P 31 2 1
P 31 2"
152
Bis(tricyclo(5.2.1.0^2.6^)deca-2,4-dienyl)chromium(III) hexafluorophosphat
- C20 H22 Cr F6 P -
- C20 H22 Cr F6 P -
- C60 H66 Cr3 F18 P3 -
3
0.5
Irene Gattinger; Martin A. Herker; Wolfgang Hiller; Frank H. Köhler
Fusing Rigid Spin Probes to Paramagnetic Sandwiches. Synthesis, Crystal Structures, and NMR Spectroscopy of Bis(isodicyclopentadienyl)metal Compounds
Inorganic Chemistry
1,999
38
2359
2368
10.1021/ic9812407
0.71073
MoKα
0.0563
0.0548
null
0.1523
0.1505
null
null
null
1.043
1.047
1.047
null
null
null
has coordinates
Irene Gattinger; Martin A. Herker; Wolfgang Hiller; Frank H. Köhler Fusing Rigid Spin Probes to Paramagnetic Sandwiches. Synthesis, Crystal Structures, and NMR Spectroscopy of Bis(isodicyclopentadienyl)metal Compounds Inorganic Chemistry 38 (1999) 2359-2368
179,323
2020-10-21
18:00:00
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2,008,312
10.009
0.0013
15.472
0.002
16.216
0.002
90
null
90
null
90
null
2,511.2
0.6
160
3
293
2
null
null
null
null
4
P b c a
-P 2ac 2ab
61
2-(Diethylaminomethyl)phenol Nitrate
diethyl(2-hydroxybenzyl)ammonium nitrate
- C11 H18 N2 O4 -
- C11 H18 N2 O4 -
- C88 H144 N16 O32 -
8
1
BK1426
Bouayad, Abdelouahed; Dartiguenave, Michèle; Lamandé, Lydia; El Ghadraoui, El Houssine; Beauchamp, André L.
Nitrate salt of protonated 2-(diethylaminomethyl)phenol
Acta Crystallographica Section C
1,999
55
4
681
683
10.1107/S0108270198014218
0.71073
MoKα
0.06
0.039
null
0.087
null
0.082
null
null
1.042
null
null
1.209
null
null
has coordinates,has Fobs
Bouayad, Abdelouahed; Dartiguenave, Michèle; Lamandé, Lydia; El Ghadraoui, El Houssine; Beauchamp, André L. Nitrate salt of protonated 2-(diethylaminomethyl)phenol Acta Crystallographica Section C 55(4) (1999) 681-683
301,791
2025-08-18
23:15:32
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2,008,313
13.855
0.004
21.573
0.006
13.163
0.004
90
null
90
null
90
null
3,934
2
295
2
295
2
null
null
null
null
6
C c c 2
C 2 -2c
37
μ-Oxo-bis-[bis-(2,2'-bi(1H-imidazole-N^3^))-oxo-rhenium(V)]tetrachloride hexahydrate, [{ReO(C~6~H~4~N~2~)~2~}~2~O]Cl~4~^.^6H~2~O.
- C24 H36 Cl4 N16 O9 Re2 -
- C24 H24 Cl4 N16 O9 Re2 -
- C96 H96 Cl16 N64 O36 Re8 -
4
0.5
BK1428
Bélanger, Suzanne; Beauchamp, André L.
μ-Oxo-bis{bis[2,2'-bi(1<i>H</i>-imidazole-<i>N</i>^3^)]oxorhenium(V)} tetrachloride hexahydrate
Acta Crystallographica Section C
1,999
55
4
517
521
10.1107/S010827019801511X
1.54056
CuKα
0.051
0.03
null
0.086
0.075
null
null
null
0.6
0.68
0.68
null
null
null
has coordinates
Bélanger, Suzanne; Beauchamp, André L. μ-Oxo-bis{bis[2,2'-bi(1<i>H</i>-imidazole-<i>N</i>^3^)]oxorhenium(V)} tetrachloride hexahydrate Acta Crystallographica Section C 55(4) (1999) 517-521
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/2/00/83/2008313.cif $ #-------------------------------------------------------------------...
2,008,314
7.5766
0.0006
9.6207
0.0007
11.2537
0.0009
89.227
0.001
85.764
0.001
82.531
0.001
811.12
0.11
173
2
173
2
null
null
null
null
3
P -1
-P 1
2
8-Hydroxy-1,2,3-trimethoxybenz[a]anthracene-7,12-dione
- C21 H16 O6 -
- C21 H16 O6 -
- C42 H32 O12 -
2
1
BK1433
Ilia A. Guzei; Alex Melekhov; George A. Kraus
A new strained angularly fused ring system: 8-hydroxy-1,2,3-trimethoxybenz[<i>a</i>]anthracene-7,12-dione
Acta Crystallographica Section C
1,999
55
4
620
622
10.1107/S0108270198012840
0.71073
MoKα
0.063
0.053
null
null
null
0.163
null
null
null
null
null
1.05
null
null
has coordinates
Ilia A. Guzei; Alex Melekhov; George A. Kraus A new strained angularly fused ring system: 8-hydroxy-1,2,3-trimethoxybenz[<i>a</i>]anthracene-7,12-dione Acta Crystallographica Section C 55(4) (1999) 620-622
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/83/2008314.cif $ #-------------------------------------------------------------------...
2,008,315
8.8166
0.0006
9.9326
0.0006
9.9764
0.0006
76.875
0.002
76.582
0.001
74.331
0.001
805.52
0.09
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[b]fluoren-11-one-oxime
- C20 H19 N O3 -
- C20 H19 N O3 -
- C40 H38 N2 O6 -
2
1
BK1435
Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Nirmal Kumar Hazra; Sujit Kumar Ghorai; Gur Dayal Nigam
5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[<i>b</i>]fluoren-11-one oxime
Acta Crystallographica Section C
1,999
55
4
585
586
10.1107/S0108270198015017
0.71073
MoKα
0.0862
0.0576
null
null
null
0.1714
null
null
null
null
null
1.017
null
null
has coordinates
Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Nirmal Kumar Hazra; Sujit Kumar Ghorai; Gur Dayal Nigam 5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[<i>b</i>]fluoren-11-one oxime Acta Crystallographica Section C 55(4) (1999) 585-586
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/83/2008315.cif $ #-------------------------------------------------------------------...
2,008,316
5.8512
0.0002
13.041
0.0006
14.8412
0.0007
90
null
90
null
90
null
1,132.47
0.08
293
2
293
2
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
4-imino(dimethylamino)benzenesulfonic acid
- C9 H14 N2 O4 S -
- C9 H14 N2 O4 S -
- C36 H56 N8 O16 S4 -
4
1
BK1436
Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur
A Schiff base formed from sulfanilic acid and dimethylformamide
Acta Crystallographica Section C
1,999
55
4
697
698
10.1107/S0108270198016060
0.71073
MoKα
0.0465
0.0343
null
null
null
0.0818
null
null
null
null
null
1.129
null
null
has coordinates,has Fobs
Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur A Schiff base formed from sulfanilic acid and dimethylformamide Acta Crystallographica Section C 55(4) (1999) 697-698
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/83/2008316.cif $ #-------------------------------------------------------------------...
4,322,013
20.205
0.003
11.7529
0.0009
30.905
0.003
90
null
90.333
0.01
90
null
7,338.8
1.4
297
2
297
2
null
null
null
null
7
I 1 2/a 1
-I 2ya
15
- C78 H62 Cl4 Hg O10 P4 Pd2 -
- C78 H62 Cl4 Hg O10 P4 Pd2 -
- C312 H248 Cl16 Hg4 O40 P16 Pd8 -
4
0.5
Larry R. Falvello; Susana Fernández; Rafael Navarro; Esteban P. Urriolabeitia
Reactivity of Palladium(II) Complexes Containing the Orthometalated C,C-Chelating Ligand C6H4-2-PPh2C(H)COCH2PPh3 toward Deprotonating Reagents
Inorganic Chemistry
1,999
38
2455
2463
10.1021/ic9812050
0.71073
MoKα
0.141
0.0591
null
null
0.1116
0.1355
null
null
null
null
null
1.04
null
null
has coordinates
Larry R. Falvello; Susana Fernández; Rafael Navarro; Esteban P. Urriolabeitia Reactivity of Palladium(II) Complexes Containing the Orthometalated C,C-Chelating Ligand C6H4-2-PPh2C(H)COCH2PPh3 toward Deprotonating Reagents Inorganic Chemistry 38 (1999) 2455-2463
179,323
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179323 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/20/4322013.cif $ #-------------------------------------------------------------------...
2,008,317
12.014
0.006
9.8
0.002
16.068
0.003
90
null
93.8
0.03
90
null
1,887.6
1.1
296
null
296
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
1-(2-deoxy-α-L-erythro-pentopyranosyl) 1-(S),2-(S), 4-triazolidine-3,5-dione
- C24 H24 S -
- C24 H24 S -
- C96 H96 S4 -
4
1
BK1440
Meyers, Cal Y.; Hou, Yuqing; Robinson, Paul D.
<i>ap</i>-9-(<i>o-tert</i>-Butylphenyl)-9-methylthiofluorene, the first isolated <i>ap</i> rotamer of a 9-substituted 9-(<i>o-tert</i>-butylphenyl)fluorene
Acta Crystallographica Section C
1,999
55
4
626
628
10.1107/S010827019801453X
0.71069
MoKα
0.069
0.036
null
null
null
0.102
null
null
null
null
null
1
null
null
has coordinates
Meyers, Cal Y.; Hou, Yuqing; Robinson, Paul D. <i>ap</i>-9-(<i>o-tert</i>-Butylphenyl)-9-methylthiofluorene, the first isolated <i>ap</i> rotamer of a 9-substituted 9-(<i>o-tert</i>-butylphenyl)fluorene Acta Crystallographica Section C 55(4) (1999) 626-628
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/83/2008317.cif $ #-------------------------------------------------------------------...
2,008,318
10.8956
0.0009
8.2532
0.0005
20.205
0.0012
90
null
98.411
0.006
90
null
1,797.4
0.2
295
null
295
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
1,2-bis(2-pyridinooxyethoxy)benzene
- C20 H20 N2 O4 -
- C20 H20 N2 O4 -
- C80 H80 N8 O16 -
4
1
BK1447
Bryan, Jeffrey C.; Delmau, Laetitia H.; Sachleben, Richard A.; Moyer, Bruce A.
1,2-Bis[2-(pyridin-2-yloxy)ethoxy]benzene
Acta Crystallographica Section C
1,999
55
4
618
620
10.1107/S0108270198016722
0.71073
MoKα
0.074
0.036
null
null
null
0.094
null
null
null
null
null
1.01
null
null
has coordinates,has Fobs
Bryan, Jeffrey C.; Delmau, Laetitia H.; Sachleben, Richard A.; Moyer, Bruce A. 1,2-Bis[2-(pyridin-2-yloxy)ethoxy]benzene Acta Crystallographica Section C 55(4) (1999) 618-620
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/83/2008318.cif $ #-------------------------------------------------------------------...
2,008,319
10.203
0.002
13.047
0.004
15.99
0.005
68.54
0.03
85.85
0.02
76.48
0.02
1,925.9
1
170
2
170
2
null
null
null
null
7
P -1
-P 1
2
bis-triphenylphosphane silver 1-phenyltetrazolethiolate
- C44 H39 Ag N4 O P2 S -
- C44 H39 Ag N4 O P2 S -
- C88 H78 Ag2 N8 O2 P4 S2 -
2
1
BM1275
Molloy, Kieran C.; Mahon, Mary F.; Barret, Marie C.
(1-Phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)bis(triphenylphosphine)silver(I) methanol solvate
Acta Crystallographica Section C
1,999
55
4
555
557
10.1107/S0108270199000311
0.71069
MoKα
0.049
0.029
null
0.071
0.065
null
null
null
1.015
1.088
1.088
null
null
null
has coordinates
Molloy, Kieran C.; Mahon, Mary F.; Barret, Marie C. (1-Phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)bis(triphenylphosphine)silver(I) methanol solvate Acta Crystallographica Section C 55(4) (1999) 555-557
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/2/00/83/2008319.cif $ #-------------------------------------------------------------------...
2,008,320
10.0761
0.0012
10.6819
0.0013
10.9819
0.0012
63.847
0.002
72.015
0.003
79.359
0.002
1,007.5
0.2
295
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C42 H46 Cu3 N4 O10 -
- C42 H46 Cu3 N4 O10 -
- C42 H46 Cu3 N4 O10 -
1
0.5
BM1276
Atakol, Orhan; Arici, Cengiz; Ercan, Filiz; Ülkü, Dinçer
Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}copper(II) dioxane solvate
Acta Crystallographica Section C
1,999
55
4
511
513
10.1107/S0108270198014334
0.71073
MoKα
null
0.044
null
null
0.046
null
null
null
null
0.96
0.96
null
null
null
has coordinates
Atakol, Orhan; Arici, Cengiz; Ercan, Filiz; Ülkü, Dinçer Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}copper(II) dioxane solvate Acta Crystallographica Section C 55(4) (1999) 511-513
301,791
2025-08-18
23:15:32
#------------------------------------------------------------------------------ #$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/2/00/83/2008320.cif $ #-------------------------------------------------------------------...