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
2,003,751
14.212
0.003
17.39
0.004
14.84
0.001
90
null
96.1
0.01
90
null
3,646.9
1.2
193
null
null
null
null
null
null
null
THF/heptane
6
P 1 21/a 1
-P 2yab
null
- C46 H28 F3 Fe N4 O2 -
- C46.57 H28 F1.71 Fe N4 O3 -
- C186.28 H112 F6.84 Fe4 N16 O12 -
4
1
BK0001
Moy, S. A.; González, J. A.; Wilson, L. J.
Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)]
Acta Crystallographica Section C
1,995
51
8
1490
1494
10.1107/S010827019401334X
0.71073
MoKα
null
0.064
null
null
0.083
null
null
null
null
1.95
1.95
null
null
null
has coordinates
Moy, S. A.; González, J. A.; Wilson, L. J. Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)] Acta Crystallographica Section C 51(8) (1995) 1490-1494
192,016
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-02-13 13:50:24 +0200 (Mon, 13 Feb 2017) $ #$Revision: 192016 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/37/2003751.cif $ #-------------------------------------------------------------------...
2,003,752
7.609
0.002
7.587
0.002
9.414
0.002
90
null
105.24
0.03
90
null
524.4
0.2
293
2
293
2
null
null
null
null
4
P 1 21 1
P 2yb
4
1-Methylimidazolium D-Tartrate
1-Methylimidazolium D-Tartrate
- C8 H12 N2 O6 -
- C8 H12 N2 O6 -
- C16 H24 N4 O12 -
2
1
BK1056
Fuller, J.
The Influence of Hydrogen Bonding on the Structure of 1-Methylimidazolium <small>D</small>-Tartrate
Acta Crystallographica Section C
1,995
51
8
1680
1683
10.1107/S0108270195002514
0.71073
MoKα
0.0584
0.0435
null
0.1245
0.1095
null
null
null
1.07
1.091
1.091
null
null
null
has coordinates
Fuller, J. The Influence of Hydrogen Bonding on the Structure of 1-Methylimidazolium <small>D</small>-Tartrate Acta Crystallographica Section C 51(8) (1995) 1680-1683
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003752.cif $ #-------------------------------------------------------------------...
2,003,753
10.259
0.003
12.016
0.004
8.42
0.003
93.23
0.03
96.52
0.03
78.22
0.02
1,008.9
0.6
296
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C36 H64 Ni P2 S2 -
- C36 Ni P2 S2 -
- C36 Ni P2 S2 -
1
0.5
BK1083
Cao, R.; Jiang, F.; Hong, M.; Li, H.; Liu, H.
Bis(phenylthiolato-<i>S</i>)bis(tri-<i>n</i>-butylphosphine-<i>P</i>)nickel(II), [Ni(SPh)~2~(P^<i>n^</i>Bu~3~)~2~]
Acta Crystallographica Section C
1,995
51
8
1552
1554
10.1107/S0108270194014940
0.71073
MoKα
null
0.05
null
null
0.063
null
null
null
null
1.55
1.55
null
null
null
has coordinates
Cao, R.; Jiang, F.; Hong, M.; Li, H.; Liu, H. Bis(phenylthiolato-<i>S</i>)bis(tri-<i>n</i>-butylphosphine-<i>P</i>)nickel(II), [Ni(SPh)~2~(P^<i>n^</i>Bu~3~)~2~] Acta Crystallographica Section C 51(8) (1995) 1552-1554
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/2/00/37/2003753.cif $ #-------------------------------------------------------------------...
2,003,754
13.401
0.002
13.5794
0.001
8.695
0.001
90
0.01
90
0.01
90
0.01
1,582.3
0.3
293
2
293
2
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
exo-2-(eta-6-Hexamethylbenzene)-endo-2-chloro-2-ruthena-arachno-tetraborane
- C12 H26 B3 Cl Ru -
- C12 H26 B3 Cl Ru -
- C48 H104 B12 Cl4 Ru4 -
4
1
BK1106
Bown, M.; Ingham, S. L.; Norris, G. E.; Waters, J. M.
<i>exo</i>-2-(η^6^-Hexamethylbenzene)-<i>endo</i>-2-chloro-2-ruthena-<i>arachno</i>-tetraborane(8)
Acta Crystallographica Section C
1,995
51
8
1503
1505
10.1107/S0108270195001272
0.71073
MoKα
0.0353
0.0253
null
0.0796
0.072
null
null
null
1.023
1.017
1.017
null
null
null
has coordinates
Bown, M.; Ingham, S. L.; Norris, G. E.; Waters, J. M. <i>exo</i>-2-(η^6^-Hexamethylbenzene)-<i>endo</i>-2-chloro-2-ruthena-<i>arachno</i>-tetraborane(8) Acta Crystallographica Section C 51(8) (1995) 1503-1505
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/2/00/37/2003754.cif $ #-------------------------------------------------------------------...
2,003,755
7.312
0.003
8.349
0.004
10.358
0.002
98.82
0.03
96.98
0.03
114.7
0.04
555.4
0.4
297
null
null
null
null
null
null
null
4
P -1
-P 1
2
3-(3-Nitroanilino)cyclohex-2-en-1-one
- C12 H12 N2 O3 -
- C12 H12 N2 O3 -
- C24 H24 N4 O6 -
2
1
BK1107
Huang, K.-S.; Britton, D.; Etter, M. C.
3-(3-Nitroanilino)cyclohex-2-en-1-one: an Unexpected Product from the Co-Crystallization of <i>m</i>-Nitroaniline with 1,3-Cyclohexanedione
Acta Crystallographica Section C
1,995
51
8
1661
1663
10.1107/S0108270195001740
0.71073
MoKα
null
0.062
null
null
0.079
null
null
null
null
2.15
2.15
null
null
null
has coordinates
Huang, K.-S.; Britton, D.; Etter, M. C. 3-(3-Nitroanilino)cyclohex-2-en-1-one: an Unexpected Product from the Co-Crystallization of <i>m</i>-Nitroaniline with 1,3-Cyclohexanedione Acta Crystallographica Section C 51(8) (1995) 1661-1663
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003755.cif $ #-------------------------------------------------------------------...
4,322,355
11.939
0.002
24.516
0.003
21.572
0.003
90
null
101.52
0.01
90
null
6,186.9
1.6
293
2
293
2
null
null
null
null
8
P 1 21/n 1
-P 2yn
14
- C44 H94 B2 Li2 N4 O4 P2 Si5 -
- C44 H94 B2 Li2 N4 O4 P2 Si5 -
- C176 H376 B8 Li8 N16 O16 P8 Si20 -
4
1
Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth
Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes
Inorganic Chemistry
1,999
38
4993
4999
10.1021/ic990507e
0.71073
MoKα
0.1273
0.0377
null
null
0.0856
0.132
null
null
null
null
null
1.001
null
null
has coordinates
Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes Inorganic Chemistry 38 (1999) 4993-4999
301,838
2025-08-20
22:17:37
#------------------------------------------------------------------------------ #$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/4/32/23/4322355.cif $ #-------------------------------------------------------------------...
2,003,756
9.8537
0.001
14.2586
0.0013
14.7465
0.0014
90
null
90
null
90
null
2,071.9
0.3
295
2
295
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C25 H25 N O2 -
- C25 H25 N O2 -
- C100 H100 N4 O8 -
4
1
BK1114
Clegg, W.; Ranelli, M.; Jackson, R. F. W.
An Epoxyamide
Acta Crystallographica Section C
1,995
51
8
1604
1606
10.1107/S0108270195001260
1.54184
CuKα
0.0512
0.048
null
0.151
0.1369
null
null
null
1.04
1.046
1.046
null
null
null
has coordinates
Clegg, W.; Ranelli, M.; Jackson, R. F. W. An Epoxyamide Acta Crystallographica Section C 51(8) (1995) 1604-1606
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003756.cif $ #-------------------------------------------------------------------...
2,003,757
14.454
0.002
6.305
0.0006
15.085
0.003
90
null
112.03
0.02
90
null
1,274.4
0.4
294
1
294
1
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
? #Bis(pentafluorophenyl)boron Chloride
- C12 B Cl F10 -
- C12 B Cl F10 -
- C48 B4 Cl4 F40 -
4
1
BK1115
Piers, W. E.; von Spence, R. E.; MacGillivray, L. R.; Zaworotko, M. J.
Bis(pentafluorophenyl)boron Chloride
Acta Crystallographica Section C
1,995
51
8
1688
1689
10.1107/S0108270195002526
0.7107
MoKα
0.066
0.035
null
0.034
0.033
null
null
null
null
2.11
2.11
null
null
null
has coordinates
Piers, W. E.; von Spence, R. E.; MacGillivray, L. R.; Zaworotko, M. J. Bis(pentafluorophenyl)boron Chloride Acta Crystallographica Section C 51(8) (1995) 1688-1689
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003757.cif $ #-------------------------------------------------------------------...
2,003,758
9.349
0.008
13.439
0.008
11.703
0.008
90
null
108.16
0.03
90
null
1,397.1
1.8
293
null
null
null
null
null
null
null
see text
5
P 1 21/n 1
-P 2yn
14
- C28 H20 N8 S4 Zn2 -
- C28 H20 N8 S4 Zn2 -
- C56 H40 N16 S8 Zn4 -
2
0.5
BM0001
Gronlund, P. J.; Wacholtz, W. F.; Mague, J. T.
A Mixed-Ligand Zinc(II) Complex Containing a Bridging Dithiolate Ligand
Acta Crystallographica Section C
1,995
51
8
1540
1543
10.1107/S0108270195001995
0.71073
MoKα
null
0.071
null
null
0.083
null
null
null
null
2.42
2.42
null
null
null
has coordinates
Gronlund, P. J.; Wacholtz, W. F.; Mague, J. T. A Mixed-Ligand Zinc(II) Complex Containing a Bridging Dithiolate Ligand Acta Crystallographica Section C 51(8) (1995) 1540-1543
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/2/00/37/2003758.cif $ #-------------------------------------------------------------------...
2,003,759
8.684
0.003
12.239
0.004
8.974
0.002
90
null
93.91
0.02
90
null
951.6
0.5
173
1
173
1
null
null
null
null
5
P 1 21 1
P 2yb
4
(-)-(2S,5R)-2-[(1'R)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one
- C19 H29 N O3 S -
- C19 H29 N O3 S -
- C38 H58 N2 O6 S2 -
2
1
BM1003
Linden, A.; Stanchev, S.
Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone
Acta Crystallographica Section C
1,995
51
8
1697
1699
10.1107/S0108270195002356
0.71069
MoKα
0.0481
0.0368
null
0.0363
0.0353
null
null
null
null
1.754
1.754
null
null
null
has coordinates
Linden, A.; Stanchev, S. Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone Acta Crystallographica Section C 51(8) (1995) 1697-1699
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003759.cif $ #-------------------------------------------------------------------...
2,003,760
12.457
0.001
12.457
0.001
10.505
0.002
90
null
90
null
120
null
1,411.7
0.3
173
1
173
1
null
null
null
null
5
P 32
P 32
145
(+)-(2S,5R)-2-[(1'S)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one
- C19 H29 N O3 S -
- C19 H29 N O3 S -
- C57 H87 N3 O9 S3 -
3
1
BM1003
Linden, A.; Stanchev, S.
Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone
Acta Crystallographica Section C
1,995
51
8
1697
1699
10.1107/S0108270195002356
0.71069
MoKα
0.0338
0.0295
null
0.0297
0.0292
null
null
null
null
1.768
1.768
null
null
null
has coordinates
Linden, A.; Stanchev, S. Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone Acta Crystallographica Section C 51(8) (1995) 1697-1699
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003760.cif $ #-------------------------------------------------------------------...
2,003,761
10.609
0.003
10.879
0.003
13.419
0.001
90
null
100.14
0.01
90
null
1,524.6
0.6
173
1
173
1
null
null
null
null
(I) was prepared as described by Stanchev, Christov, Simova, Mladenova & Linden (1995). Suitable crystals were obtained by recrystallisation from CHCl~3~/hexane.
5
P 1 21 1
P 2yb
4
(-)-(1S,2S,5R)-1-(N,N-Dimethylsulfamoylmethyl)-2-isopropyl-5-methylcyclohexan- 1-ol
- C13 H27 N O3 S -
- C13 H27 N O3 S -
- C52 H108 N4 O12 S4 -
4
2
BM1004
Linden, A.; Stanchev, S.
Absolute Configuration of a Substituted Cyclohexanol
Acta Crystallographica Section C
1,995
51
8
1694
1696
10.1107/S0108270195002368
0.71069
MoKα
0.0448
0.0335
null
0.0318
0.0309
null
null
null
null
1.705
1.705
null
null
null
has coordinates,has Fobs
Linden, A.; Stanchev, S. Absolute Configuration of a Substituted Cyclohexanol Acta Crystallographica Section C 51(8) (1995) 1694-1696
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003761.cif $ #-------------------------------------------------------------------...
2,003,762
9.415
0.001
9.415
0.001
7.078
0.001
90
null
90
null
120
null
543.35
0.11
298
null
298
null
null
null
null
null
3
P -6 2 m
P -6 -2
189
σ-Dibarium Diphosphate
- Ba2 O7 P2 -
- Ba2 O9 P2 -
- Ba6 O27 P6 -
3
0.25
BR1095
ElBelghitti, A. A.; Elmarzouki, A.; Boukhari, A.; Holt, E. M.
σ-Dibarium Pyrophosphate
Acta Crystallographica Section C
1,995
51
8
1478
1480
10.1107/S0108270195001739
0.71073
MoKα
null
0.0254
null
null
0.0333
null
null
null
null
0.9
0.9
null
null
null
has coordinates
ElBelghitti, A. A.; Elmarzouki, A.; Boukhari, A.; Holt, E. M. σ-Dibarium Pyrophosphate Acta Crystallographica Section C 51(8) (1995) 1478-1480
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/2/00/37/2003762.cif $ #-------------------------------------------------------------------...
2,003,763
7.786
0.002
8.984
0.003
11.696
0.004
108.21
0.02
95.13
0.02
109.79
0.02
713.6
0.4
295
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C10 H11 Cl4 Cu N3 -
- C10 H11 Cl4 Cu N3 -
- C20 H22 Cl8 Cu2 N6 -
2
1
CR1092
Willett, R. D.
2,2'-Iminodipyridinium Tetrachlorocuprate(II)
Acta Crystallographica Section C
1,995
51
8
1517
1519
10.1107/S0108270195002149
1.54178
CuKα
null
0.064
null
null
0.109
null
null
null
null
1.74
1.74
null
null
null
has coordinates
Willett, R. D. 2,2'-Iminodipyridinium Tetrachlorocuprate(II) Acta Crystallographica Section C 51(8) (1995) 1517-1519
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/37/2003763.cif $ #-------------------------------------------------------------------...
2,003,764
9.5781
0.0008
16.3763
0.0018
17.4396
0.0014
90
null
90
null
90
null
2,735.5
0.4
295
null
null
null
null
null
null
null
3
F d d d
-F 2uv 2vw
null
- C12 F14 O2 -
- C1.5 F1.5 O0.5 -
- C12 F12 O4 -
8
null
CR1096
Baenziger, N. C.; Burton, D. J.; Tortelli, V.
2,3,5,6-Tetrakis(trifluoromethyl)terephthaloyl Difluoride
Acta Crystallographica Section C
1,995
51
8
1663
1665
10.1107/S0108270195002125
1.5418
CuKα
null
0.051
null
null
0.087
null
null
null
null
1.032
1.032
null
null
null
has coordinates
Baenziger, N. C.; Burton, D. J.; Tortelli, V. 2,3,5,6-Tetrakis(trifluoromethyl)terephthaloyl Difluoride Acta Crystallographica Section C 51(8) (1995) 1663-1665
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/2/00/37/2003764.cif $ #-------------------------------------------------------------------...
4,322,354
11.083
0.001
14.978
0.001
18.134
0.002
91.17
0.001
101.43
0.01
110.05
0.01
2,758.9
0.5
293
2
293
2
null
null
null
null
8
P -1
-P 1
2
- C44 H86 B2 Ge Li2 N4 O4 P2 -
- C44 H86 B2 Ge Li2 N4 O4 P2 -
- C88 H172 B4 Ge2 Li4 N8 O8 P4 -
2
1
Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth
Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes
Inorganic Chemistry
1,999
38
4993
4999
10.1021/ic990507e
0.71073
MoKα
0.0896
0.0417
null
null
0.081
0.0918
null
null
null
null
null
1.036
null
null
has coordinates
Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes Inorganic Chemistry 38 (1999) 4993-4999
301,838
2025-08-20
22:17:37
#------------------------------------------------------------------------------ #$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/4/32/23/4322354.cif $ #-------------------------------------------------------------------...
2,003,765
11.011
0.002
11.395
0.002
11.491
0.002
114.5
0.2
101.8
0.1
93.3
0.2
1,268
2
296
null
null
null
null
null
null
null
Recrystallized
3
P -1
-P 1
2
- C32 H30 O2 -
- C32 H30 O2 -
- C64 H60 O4 -
2
1
CR1131
Chen, C.-F.; Xu, J.-H.; Zhu, Y.; Liu, Y.-C.
(±)-3,4-Bis(4-methylphenyl)-1,6-diphenyl-1,6-hexanedione
Acta Crystallographica Section C
1,995
51
8
1712
1714
10.1107/S0108270195000850
1.5418
CuKα
null
0.069
null
null
0.068
null
null
null
null
0.854
0.854
null
null
null
has coordinates
Chen, C.-F.; Xu, J.-H.; Zhu, Y.; Liu, Y.-C. (±)-3,4-Bis(4-methylphenyl)-1,6-diphenyl-1,6-hexanedione Acta Crystallographica Section C 51(8) (1995) 1712-1714
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003765.cif $ #-------------------------------------------------------------------...
2,003,766
7.853
0.003
11.025
0.001
22.708
0.005
90
null
95.96
0.01
90
null
1,955.4
0.9
296
null
null
null
null
null
null
null
Recrystallized
5
P 1 21/n 1
-P 2yn
14
- C19 H10 Cl5 N O2 -
- C19 H10 Cl5 N O2 -
- C76 H40 Cl20 N4 O8 -
4
1
CR1132
Chen, C.-F.; Xu, J.-H.; Liu, Y.-C.; Xu, C.
2,3,5,6-Tetrachloro-4-hydroxyphenyl <i>N</i>-(4-Chlorophenyl)benzenecarboximidate
Acta Crystallographica Section C
1,995
51
8
1709
1711
10.1107/S0108270195001247
0.7107
MoKα
null
0.05
null
null
0.047
null
null
null
null
1.35
1.35
null
null
null
has coordinates
Chen, C.-F.; Xu, J.-H.; Liu, Y.-C.; Xu, C. 2,3,5,6-Tetrachloro-4-hydroxyphenyl <i>N</i>-(4-Chlorophenyl)benzenecarboximidate Acta Crystallographica Section C 51(8) (1995) 1709-1711
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003766.cif $ #-------------------------------------------------------------------...
2,003,767
13.663
0.004
15.342
0.003
23.557
0.005
90
null
97.64
0.03
90
null
4,894
2
298
null
null
null
null
null
null
null
MeOH evaporation
5
P 1 21 1
P 2yb
4
- C42 H68 Br N5 O12 -
- C42 H68 Br N5 O12 -
- C168 H272 Br4 N20 O48 -
4
2
CR1144
Mayer, S. C.; Carroll, P. J.; Joullié, M. M.
The Cyclic Depsipeptide Backbone of the Didemnins
Acta Crystallographica Section C
1,995
51
8
1609
1614
10.1107/S0108270194013405
1.54184
CuKα
null
0.065
null
null
0.077
null
null
null
null
2.49
2.49
null
null
null
has coordinates
Mayer, S. C.; Carroll, P. J.; Joullié, M. M. The Cyclic Depsipeptide Backbone of the Didemnins Acta Crystallographica Section C 51(8) (1995) 1609-1614
203,832
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-11-30 21:25:31 +0200 (Thu, 30 Nov 2017) $ #$Revision: 203832 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/37/2003767.cif $ #-------------------------------------------------------------------...
2,003,768
6.8102
0.0014
9.8841
0.0018
11.2926
0.0018
74.487
0.016
77.343
0.015
83.58
0.023
713.5
0.2
278
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C12 H17 Cl N4 O3 -
- C12 H17 Cl N4 O3 -
- C24 H34 Cl2 N8 O6 -
2
1
CR1154
Brownstein, S. K.; Enright, G. D.
2,3-Diamino-5-hydrophenazinium Chloride Trihydrate
Acta Crystallographica Section C
1,995
51
8
1579
1581
10.1107/S010827019500103X
1.54056
CuKα
null
0.06
null
null
0.07
null
null
null
null
2.3
2.3
null
null
null
has coordinates
Brownstein, S. K.; Enright, G. D. 2,3-Diamino-5-hydrophenazinium Chloride Trihydrate Acta Crystallographica Section C 51(8) (1995) 1579-1581
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003768.cif $ #-------------------------------------------------------------------...
2,003,769
5.9355
0.0006
11.258
0.001
13.7293
0.0007
113.667
0.006
98.617
0.007
91.947
0.008
826.27
0.13
293
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C10 H18 N4 O4 S3 -
- C10 H18 N4 O4 S3 -
- C20 H36 N8 O8 S6 -
2
1
CR1160
Ammon, H. L.; Seymour, R. J.; Huffman, W. M.; D'Silva, T. D. J.
Thiodicarb
Acta Crystallographica Section C
1,995
51
8
1619
1621
10.1107/S0108270195000795
1.54178
CuKα
null
0.037
null
null
0.05
null
null
null
null
1.23
1.23
null
null
null
has coordinates
Ammon, H. L.; Seymour, R. J.; Huffman, W. M.; D'Silva, T. D. J. Thiodicarb Acta Crystallographica Section C 51(8) (1995) 1619-1621
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003769.cif $ #-------------------------------------------------------------------...
2,003,770
7.182
0.001
8.947
0.001
18.277
0.002
90
null
91.89
0.01
90
null
1,173.8
0.2
293
null
null
null
null
null
null
null
synthesis
4
P 1 21/n 1
-P 2yn
14
- C10 H13 N3 O4 -
- C10 H16 N3 O4 -
- C40 H64 N12 O16 -
4
1
CR1161
Abboud, K. A.; Summers, S. P.; Palenik, G. J.
Salicylaldehyde Semicarbazone‒Acetic Acid Hydrogen-Bonded Complex
Acta Crystallographica Section C
1,995
51
8
1707
1709
10.1107/S0108270195002113
0.71073
MoKα
null
0.042
null
null
0.041
null
null
null
null
1.19
1.19
null
null
null
has coordinates
Abboud, K. A.; Summers, S. P.; Palenik, G. J. Salicylaldehyde Semicarbazone‒Acetic Acid Hydrogen-Bonded Complex Acta Crystallographica Section C 51(8) (1995) 1707-1709
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/2/00/37/2003770.cif $ #-------------------------------------------------------------------...
2,003,771
5.21
0.002
9.527
0.003
16.524
0.006
90
null
90
null
90
null
820.2
0.5
295
null
null
null
null
null
null
null
crystallized from CH~3~CN
5
P 21 21 21
P 2ac 2ab
19
- C6 H4 I N S2 -
- C6 H4 I N S2 -
- C24 H16 I4 N4 S8 -
4
1
CR1162
Oakley, R. T.; von Spence, R. E.; Richardson, J. F.
Benzo-1,3,2-dithiazolium Iodide
Acta Crystallographica Section C
1,995
51
8
1654
1655
10.1107/S0108270195000862
0.71073
MoKα
null
0.026
null
null
0.03
null
null
null
null
1.159
1.159
null
null
null
has coordinates
Oakley, R. T.; von Spence, R. E.; Richardson, J. F. Benzo-1,3,2-dithiazolium Iodide Acta Crystallographica Section C 51(8) (1995) 1654-1655
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003771.cif $ #-------------------------------------------------------------------...
2,003,772
9.288
0.002
10.809
0.002
13.379
0.002
90
null
100.91
0.01
90
null
1,318.9
0.4
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
tetrachlorophenyl
- C12 H5 Cl4 N S -
- C12 H5 Cl4 N S -
- C48 H20 Cl16 N4 S4 -
4
1
CR1176
Zhang, H.; Refat, H. M.; Biehl, E.
α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile
Acta Crystallographica Section C
1,995
51
8
1667
1670
10.1107/S0108270195004288
0.71073
MoKα
0.058
0.043
null
0.131
0.114
null
null
null
1.036
1.079
1.079
null
null
null
has coordinates
Zhang, H.; Refat, H. M.; Biehl, E. α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile Acta Crystallographica Section C 51(8) (1995) 1667-1670
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003772.cif $ #-------------------------------------------------------------------...
4,322,353
11.071
0.002
14.937
0.003
18.08
0.004
91.31
0.03
101.23
0.03
109.95
0.03
2,743.7
1.2
293
2
293
2
null
null
null
null
8
P -1
-P 1
2
- C44 H86 B2 Li2 N4 O4 P2 Si -
- C44 H86 B2 Li2 N4 O4 P2 Si -
- C88 H172 B4 Li4 N8 O8 P4 Si2 -
2
1
Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth
Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes
Inorganic Chemistry
1,999
38
4993
4999
10.1021/ic990507e
0.71073
MoKα
0.097
0.0447
null
null
0.0936
0.1059
null
null
null
null
null
1.008
null
null
has coordinates
Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes Inorganic Chemistry 38 (1999) 4993-4999
301,838
2025-08-20
22:17:37
#------------------------------------------------------------------------------ #$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/4/32/23/4322353.cif $ #-------------------------------------------------------------------...
2,003,773
7.681
0.002
8.78
0.002
12.761
0.003
100.24
0.02
99.65
0.02
108.39
0.02
780.2
0.4
293
2
230
2
null
null
null
null
5
P -1
-P 1
2
pentachlorophenyl
- C15 H8 Cl5 N O -
- C15 H8 Cl5 N O -
- C30 H16 Cl10 N2 O2 -
2
1
CR1176
Zhang, H.; Refat, H. M.; Biehl, E.
α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile
Acta Crystallographica Section C
1,995
51
8
1667
1670
10.1107/S0108270195004288
0.71073
MoKα
0.144
0.056
null
0.105
0.075
null
null
null
1.016
1.161
1.161
null
null
null
has coordinates
Zhang, H.; Refat, H. M.; Biehl, E. α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile Acta Crystallographica Section C 51(8) (1995) 1667-1670
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003773.cif $ #-------------------------------------------------------------------...
2,003,774
9.2037
0.0006
11.114
0.002
30.012
0.005
90
null
90
null
90
null
3,069.9
0.8
295
null
null
null
null
null
null
null
3
P b c a
-P 2ac 2ab
61
- Mo8 O14 Pr -
- Mo8 O14 Pr -
- Mo96 O168 Pr12 -
12
1.5
DU1118
Kerihuel, G.; Gougeon, P.
PrMo~8~O~14~, a Fourth Crystalline Form of the Series <i>R</i>Mo~8~O~14~ (<i>R</i> = La, Ce, Pr, Nd, Sm)
Acta Crystallographica Section C
1,995
51
8
1475
1478
10.1107/S0108270195002423
0.71073
MoKα
null
0.042
null
null
0.044
null
null
null
null
1.649
1.649
null
null
null
has coordinates
Kerihuel, G.; Gougeon, P. PrMo~8~O~14~, a Fourth Crystalline Form of the Series <i>R</i>Mo~8~O~14~ (<i>R</i> = La, Ce, Pr, Nd, Sm) Acta Crystallographica Section C 51(8) (1995) 1475-1478
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/2/00/37/2003774.cif $ #-------------------------------------------------------------------...
2,003,775
12.884
0.005
13.675
0.006
9.844
0.006
104.77
0.04
111.99
0.03
73.95
0.04
1,523.1
1.4
293
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C34 H27 B N6 O2 Zn -
- C34 H27 B N6 O2 Zn -
- C68 H54 B2 N12 O4 Zn2 -
2
1
FG1030
Kawabata, S.; Nakata, K.; Ichikawa, K.
Benzoato[hydrotris(3-phenylpyrazol-1-yl-<i>N</i>^2^)borato]zinc(II)
Acta Crystallographica Section C
1,995
51
8
1554
1556
10.1107/S0108270195001302
1.54184
CuKα
null
0.051
null
null
0.083
null
null
null
null
2.38
2.38
null
null
null
has coordinates
Kawabata, S.; Nakata, K.; Ichikawa, K. Benzoato[hydrotris(3-phenylpyrazol-1-yl-<i>N</i>^2^)borato]zinc(II) Acta Crystallographica Section C 51(8) (1995) 1554-1556
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003775.cif $ #-------------------------------------------------------------------...
2,003,776
12.0905
0.0015
12.0619
0.0013
13.97
0.002
89.416
0.008
81.601
0.008
75.202
0.008
1,947.8
0.4
200
1
200
1
null
null
null
null
6
P -1
-P 1
2
1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido-closo- 1,2-selenacupraoctahydrododecaborane
- C36 H40 B10 Cu2 P2 Se -
- C36 H40 B10 Cu2 P2 Se -
- C72 H80 B20 Cu4 P4 Se2 -
2
1
FG1040
Thornton-Pett, M.; Kennedy, J. D.; Breen, S. P.; Spalding, T. R.
<i>exo</i>-2,7,11-μ~3~-[Dihydro(triphenylphosphine)cuprio-2<i>Cu</i>,7<i>H</i>,11<i>H</i>]-2-triphenylphosphine-<i>closo</i>-1,2-selenacupradodecaborane(8)
Acta Crystallographica Section C
1,995
51
8
1496
1498
10.1107/S0108270194012011
0.71069
MoKα
0.0307
0.0246
null
0.067
0.0641
null
null
null
1.09
1.115
1.115
null
null
null
has coordinates
Thornton-Pett, M.; Kennedy, J. D.; Breen, S. P.; Spalding, T. R. <i>exo</i>-2,7,11-μ~3~-[Dihydro(triphenylphosphine)cuprio-2<i>Cu</i>,7<i>H</i>,11<i>H</i>]-2-triphenylphosphine-<i>closo</i>-1,2-selenacupradodecaborane(8) Acta Crystallographica Section C 51(8) (1995) 1496-1498
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/2/00/37/2003776.cif $ #-------------------------------------------------------------------...
2,003,777
14.383
0.004
9.579
0.002
20.122
0.005
90
null
90
null
90
null
2,772.3
1.2
293
2
293
2
null
null
null
null
moved to publ/section/exptl/prep
3
P b c a
-P 2ac 2ab
61
(+)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydro-anthraquinone
- C16 H14 O5 -
- C16 H14 O5 -
- C128 H112 O40 -
8
1
FG1057
Bolaños-García, V. M.; Jaramillo-Flores, M. E.; Panneerselvam, K.; Soriano-García, M.
(±)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone
Acta Crystallographica Section C
1,995
51
8
1641
1643
10.1107/S0108270195001107
1.54178
CuKα
0.0545
0.0478
null
0.1427
0.1344
null
null
null
1.081
1.104
1.104
null
null
null
has coordinates
Bolaños-García, V. M.; Jaramillo-Flores, M. E.; Panneerselvam, K.; Soriano-García, M. (±)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone Acta Crystallographica Section C 51(8) (1995) 1641-1643
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003777.cif $ #-------------------------------------------------------------------...
2,003,778
8.502
0.002
21.675
0.013
8.741
0.003
90
null
115.76
0.02
90
null
1,450.7
1.1
298
2
298
2
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
1(R)-methyl-4(1'(R)-phenylethyl)-1H-2,3-benzodiazepine
- C18 H18 N2 -
- C18 H18 N2 -
- C72 H72 N8 -
4
1
HA1139
Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
1,995
51
8
1621
1627
10.1107/S0108270195001120
0.71073
MoKα
0.0559
0.0452
null
0.1281
0.1194
null
null
null
1.033
1.065
1.065
null
null
null
has coordinates
Blake, A. J.; Harding, M.; Sharp, J. T. 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds Acta Crystallographica Section C 51(8) (1995) 1621-1627
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003778.cif $ #-------------------------------------------------------------------...
2,003,779
11.7871
0.0009
10.3877
0.0007
12.4807
0.0008
90
null
102.276
0.006
90
null
1,493.21
0.18
298
2
298
2
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
1(R)-methyl-4(1'(R),2',2'-trimethylpropyl)-1H-2,3-benzodiazepine
- C16 H22 N2 -
- C16 H22 N2 -
- C64 H88 N8 -
4
1
HA1139
Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
1,995
51
8
1621
1627
10.1107/S0108270195001120
0.71073
MoKα
0.0863
0.0435
null
0.1226
0.1133
null
null
null
1.035
1.219
1.219
null
null
null
has coordinates
Blake, A. J.; Harding, M.; Sharp, J. T. 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds Acta Crystallographica Section C 51(8) (1995) 1621-1627
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003779.cif $ #-------------------------------------------------------------------...
2,003,780
12.852
0.006
10.605
0.005
12.331
0.006
90
null
111.07
0.03
90
null
1,568.3
1.3
298
2
298
2
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
1(R)-methyl-4(1'(R)-ethyl-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine
- C17 H24 N2 -
- C17 H24 N2 -
- C68 H96 N8 -
4
1
HA1139
Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
1,995
51
8
1621
1627
10.1107/S0108270195001120
0.71073
MoKα
0.1076
0.0486
null
0.1433
0.1251
null
null
null
1.054
1.208
1.208
null
null
null
has coordinates
Blake, A. J.; Harding, M.; Sharp, J. T. 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds Acta Crystallographica Section C 51(8) (1995) 1621-1627
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003780.cif $ #-------------------------------------------------------------------...
2,003,781
6.35
0.005
10.954
0.008
21.118
0.018
90
null
90
null
90
null
1,469
2
150
0.2
150
0.2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
1-methyl-4(1'-methoxy-benzyl)-1H-2,3-benzodiazepine
- C18 H18 N2 O -
- C18 H18 N2 O -
- C72 H72 N8 O4 -
4
1
HA1139
Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
1,995
51
8
1621
1627
10.1107/S0108270195001120
0.71073
MoKα
0.0691
0.0552
null
0.1591
0.1379
null
null
null
1.035
1.057
1.057
null
null
null
has coordinates
Blake, A. J.; Harding, M.; Sharp, J. T. 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds Acta Crystallographica Section C 51(8) (1995) 1621-1627
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003781.cif $ #-------------------------------------------------------------------...
2,003,782
7.7357
0.0009
9.4583
0.001
11.0128
0.0013
102.929
0.008
101.797
0.006
100.792
0.005
745.48
0.15
298
2
298
2
null
null
null
null
4
P -1
-P 1
2
1(S)-methyl-4(1'(R)-methoxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine
- C16 H22 N2 O -
- C16 H22 N2 O -
- C32 H44 N4 O2 -
2
1
HA1139
Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
1,995
51
8
1621
1627
10.1107/S0108270195001120
0.71073
MoKα
0.037
0.0336
null
0.0991
0.0925
null
null
null
1.096
1.132
1.132
null
null
null
has coordinates
Blake, A. J.; Harding, M.; Sharp, J. T. 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds Acta Crystallographica Section C 51(8) (1995) 1621-1627
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003782.cif $ #-------------------------------------------------------------------...
2,003,783
12.962
0.002
13.4604
0.0008
22.2464
0.0015
90
null
90
null
90
null
3,881.4
0.7
298
2
298
2
null
null
null
null
4
P c a b
-P 2bc 2ac
61
1(R)-methyl-4(1'(R)-benzoyloxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine
- C22 H24 N2 O2 -
- C22 H24 N2 O2 -
- C176 H192 N16 O16 -
8
1
HA1139
Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
1,995
51
8
1621
1627
10.1107/S0108270195001120
0.71073
MoKα
0.046
0.0345
null
0.0992
0.0938
null
null
null
1.069
1.118
1.118
null
null
null
has coordinates
Blake, A. J.; Harding, M.; Sharp, J. T. 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds Acta Crystallographica Section C 51(8) (1995) 1621-1627
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003783.cif $ #-------------------------------------------------------------------...
2,003,784
10.3302
0.0003
10.638
0.0002
9.7044
0.0002
90
null
90
null
90
null
1,066.44
0.04
293
null
293
null
null
null
null
null
Associated Octel Company Ltd
4
P 21 21 21
P 2ac 2ab
19
2,6-dichlorophenylguanidinium chloride
2,6-dichlorophenylguanidinium chloride
- C7 H8 Cl3 N3 -
- C7 H8 Cl3 N3 -
- C28 H32 Cl12 N12 -
4
1
HA1140
Barker, J.; Powell, H. R.
2,6-Dichlorophenylguanidinium Chloride
Acta Crystallographica Section C
1,995
51
8
1714
1716
10.1107/S0108270195002150
1.5418
CuKα
0.0417
0.0405
null
0.0432
0.0429
null
null
null
null
1.0991
1.0991
null
null
null
has coordinates
Barker, J.; Powell, H. R. 2,6-Dichlorophenylguanidinium Chloride Acta Crystallographica Section C 51(8) (1995) 1714-1716
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003784.cif $ #-------------------------------------------------------------------...
4,322,352
8.1143
0.0005
12.6757
0.0007
16.698
0.001
80.445
0.001
76.152
0.001
86.876
0.001
1,644.21
0.17
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
- C19 H36 Cl4 Cu2 N8 O16 -
- C19 H36 Cl4 Cu2 N8 O16 -
- C38 H72 Cl8 Cu4 N16 O32 -
2
1
A. McAuley; M. J. Zaworotko; K. Biradha
Stepwise Complexation of Ni(II) and Cu(II) Ions by 6,6'-C-spirobi(cyclam) (cyclam = 1,4,8,11-Tetraazacyclotetradecane), L1. Syntheses and Redox Chemistry of [M(H2L1)]X4 (M = Cu2+, Ni2+), [Cu2(L1)]X4, and [CuNi(L1)]X4 (X = ClO4-) and the X-ray Crystal Structure of [Cu2(L1)](ClO4)4
Inorganic Chemistry
1,999
38
5078
5085
10.1021/ic9904844
0.71073
MoKα
0.12
0.1056
null
0.3328
0.32
null
null
null
1.099
1.185
1.185
null
null
null
has coordinates
A. McAuley; M. J. Zaworotko; K. Biradha Stepwise Complexation of Ni(II) and Cu(II) Ions by 6,6'-C-spirobi(cyclam) (cyclam = 1,4,8,11-Tetraazacyclotetradecane), L1. Syntheses and Redox Chemistry of [M(H2L1)]X4 (M = Cu2+, Ni2+), [Cu2(L1)]X4, and [CuNi(L1)]X4 (X = ClO4-) and the X-ray Crystal Structure of [Cu2(L1)](ClO4)4...
179,326
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322352.cif $ #-------------------------------------------------------------------...
2,003,785
7.214
0.001
10.513
0.001
19.459
0.002
90
null
90.81
0.01
90
null
1,475.7
0.5
293
null
null
null
null
null
null
null
slow evaporation
5
P 1 21 1
P 2yb
4
- C13 H16 N4 O3 S -
- C13 H16 N4 O3 S -
- C52 H64 N16 O12 S4 -
4
2
Tsiveriotis, P.; Hadjiliadis, N.; Dahan, F.; Laussac, J. P.
Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate
Acta Crystallographica, Section C: Crystal Structure Communications
1,995
51
8
1607
1609
10.1107/S0108270194012692
0.71073
MoKα
null
0.021
null
null
0.025
null
null
null
null
0.85
0.85
null
null
null
has coordinates
Tsiveriotis, P.; Hadjiliadis, N.; Dahan, F.; Laussac, J. P. Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate Acta Crystallographica, Section C: Crystal Structure Communications 51(8) (1995) 1607-1609
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003785.cif $ #-------------------------------------------------------------------...
2,003,786
10.828
0.006
16.339
0.003
15.034
0.006
90
null
125.5
0.02
90
null
2,165.4
1.6
293
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C25 H16 Cl Cu N5 S -
- C25 H16 Cl Cu N5 S -
- C100 H64 Cl4 Cu4 N20 S4 -
4
1
HR1027
Parker, O. J.; Breneman, G. L.
<i>cis</i>-Chloro(isothiocyanato)bis(1,10-phenanthroline)copper(II), <i>cis</i>-[CuCl(NCS)(phen)~2~]
Acta Crystallographica Section C
1,995
51
8
1529
1531
10.1107/S0108270194007109
0.71073
MoKα
null
0.043
null
null
0.046
null
null
null
null
1.26
1.26
null
null
null
has coordinates
Parker, O. J.; Breneman, G. L. <i>cis</i>-Chloro(isothiocyanato)bis(1,10-phenanthroline)copper(II), <i>cis</i>-[CuCl(NCS)(phen)~2~] Acta Crystallographica Section C 51(8) (1995) 1529-1531
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003786.cif $ #-------------------------------------------------------------------...
2,003,787
12.384
0.002
7.684
0.002
15.739
0.003
90
null
111.65
0.03
90
null
1,392
0.6
294
null
294
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
2,6-DIMETHYLPHENYL(CARBOXYMETHYL)GLYCINATOCOPPER(II)MONOAQUOMONOAMMIN.
- C12 H18 Cu N2 O5 -
- C12 H18 Cu N2 O5 -
- C48 H72 Cu4 N8 O20 -
4
1
HR1039
Hidalgo, M. A.; Romerosa, A.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.
(Ammine)(aqua)[<i>N</i>-(2,6-dimethylphenyl)-<i>N</i>-(carboxymethyl)glycinato-<i>N</i>,<i>O</i>,<i>O</i>'']copper(II)
Acta Crystallographica Section C
1,995
51
8
1510
1512
10.1107/S0108270194015064
0.71069
MoKα
0.2751
0.0387
null
0.2601
0.0459
null
null
null
null
1.9165
1.9165
null
null
null
has coordinates
Hidalgo, M. A.; Romerosa, A.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D. (Ammine)(aqua)[<i>N</i>-(2,6-dimethylphenyl)-<i>N</i>-(carboxymethyl)glycinato-<i>N</i>,<i>O</i>,<i>O</i>'']copper(II) Acta Crystallographica Section C 51(8) (1995) 1510-1512
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003787.cif $ #-------------------------------------------------------------------...
2,003,788
12.195
0.001
12.1952
null
6.713
0.002
90
null
90
null
120
null
864.6
0.3
293
null
293
null
null
null
null
null
The literature synthesis (Peringer, 1980) produced (1) in crystalline form
6
P -3
-P 3
147
- C14 H36 F6 Hg O12 S8 -
- C14 H36 F6 Hg O12 S8 -
- C14 H36 F6 Hg O12 S8 -
1
0.166667
HR1049
Hook, J. M.; Dean, P. A. W.; Hockless, D. C. R.
Hexakis(dimethyl sulfoxide)mercury(II) Trifluoromethanesulfonate, a Standard for Solid-State ^199^Hg NMR
Acta Crystallographica Section C
1,995
51
8
1547
1549
10.1107/S010827019500196X
1.5418
CuKalpha
null
0.036
null
null
0.046
null
null
null
null
2.69
2.69
null
null
null
has coordinates
Hook, J. M.; Dean, P. A. W.; Hockless, D. C. R. Hexakis(dimethyl sulfoxide)mercury(II) Trifluoromethanesulfonate, a Standard for Solid-State ^199^Hg NMR Acta Crystallographica Section C 51(8) (1995) 1547-1549
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003788.cif $ #-------------------------------------------------------------------...
2,003,789
9.534
0.004
14.283
0.004
24.02
0.005
90
null
90
null
90
null
3,270.9
1.8
293
2
293
2
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
oleandrin dihydrate
16ß-(Acetyloxy)-3ß-[(2,6-dideoxy-3-o-mothyl-L-arabino- hexopyranosyl)oxy]-14-hydroxycard-20-(22)-enolide.dihydrate
- C32 H52 O11 -
- C32 H52 O11 -
- C128 H208 O44 -
4
1
HR1054
Panneerselvam, K.; Soriano-García, M.
16β-(Acetyloxy)-3β-[(2,6-dideoxy-3-<i>O</i>-methyl-<small>L</small>-<i>arabino</i>-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide Dihydrate
Acta Crystallographica Section C
1,995
51
8
1646
1648
10.1107/S0108270195002216
1.54178
CuKα
0.0393
0.0383
null
0.1044
0.1033
null
null
null
1.109
1.117
1.117
null
null
null
has coordinates
Panneerselvam, K.; Soriano-García, M. 16β-(Acetyloxy)-3β-[(2,6-dideoxy-3-<i>O</i>-methyl-<small>L</small>-<i>arabino</i>-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide Dihydrate Acta Crystallographica Section C 51(8) (1995) 1646-1648
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003789.cif $ #-------------------------------------------------------------------...
2,003,790
11.679
0.001
11.31
0.001
7.847
0.001
90
null
90
null
90
null
1,036.51
0.18
238
5
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C8 H16 O4 S -
- C8 H16 O4 S -
- C32 H64 O16 S4 -
4
1
HU1071
Hellier, D. G.; Motevalli, M.
5-<i>tert</i>-Butyl-5-methyl-1,3,2-dioxathiane 2,2-Dioxide
Acta Crystallographica Section C
1,995
51
8
1701
1703
10.1107/S0108270193012314
0.71069
MoKα
0.0257
0.0248
null
0.0574
0.057
null
null
null
1.011
1.017
1.017
null
null
null
has coordinates
Hellier, D. G.; Motevalli, M. 5-<i>tert</i>-Butyl-5-methyl-1,3,2-dioxathiane 2,2-Dioxide Acta Crystallographica Section C 51(8) (1995) 1701-1703
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003790.cif $ #-------------------------------------------------------------------...
2,003,791
8.418
0.001
5.676
0.001
13.403
0.002
90
null
94.81
0.01
90
null
638.15
0.17
300
null
300
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
bis-cupferronato copper(II)
bis-(N-nitroso-N-phenylhydroxylaminato) copper(II)
- C12 H10 Cu N4 O4 -
- C12 H10 Cu N4 O4 -
- C24 H20 Cu2 N8 O8 -
2
0.5
HU1103
Elerman, Y.; Atakol, O.; Svoboda, I.; Geselle, M.
Bis(cupferronato)copper(II), [Cu(C~6~H~5~N~2~O~2~)~2~]
Acta Crystallographica Section C
1,995
51
8
1520
1522
10.1107/S0108270195002770
0.71069
MoKα
0.0461
0.0292
null
0.0632
0.0617
null
null
null
2.308
2.558
2.558
null
null
null
has coordinates
Elerman, Y.; Atakol, O.; Svoboda, I.; Geselle, M. Bis(cupferronato)copper(II), [Cu(C~6~H~5~N~2~O~2~)~2~] Acta Crystallographica Section C 51(8) (1995) 1520-1522
176,759
2020-10-21
18:00:00
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2,003,792
9.148
0.002
11.461
0.002
10.22
0.002
90
null
90.271
0.015
90
null
1,071.5
0.4
296
null
null
null
null
null
null
null
Recrystallized from a CH~2~Cl~2~/acetone
5
P 1 21/n 1
-P 2yn
14
- C14 H28 N4 Ni2 P4 -
- C14 H28 N4 Ni2 P4 -
- C28 H56 N8 Ni4 P8 -
2
0.5
HU1128
Manojlovic-Muir, Lj.; Muir, K. W.; Rennie, M.-A.
<i>trans</i>,<i>trans</i>-[Ni~2~(CN)~4~(Me~2~PCH~2~PMe~2~)~2~]
Acta Crystallographica Section C
1,995
51
8
1533
1535
10.1107/S0108270194014733
0.71069
MoKα
null
0.029
null
null
0.033
null
null
null
null
1.79
1.79
null
null
null
has coordinates
Manojlovic-Muir, Lj.; Muir, K. W.; Rennie, M.-A. <i>trans</i>,<i>trans</i>-[Ni~2~(CN)~4~(Me~2~PCH~2~PMe~2~)~2~] Acta Crystallographica Section C 51(8) (1995) 1533-1535
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/2/00/37/2003792.cif $ #-------------------------------------------------------------------...
2,003,793
17.473
0.003
10.926
0.002
16.163
0.003
90
null
91.17
0.03
90
null
3,085
1
295
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C30 H24 Cl2 N6 O8 Zn -
- C30 H24 Cl2 N6 O8 Zn -
- C120 H96 Cl8 N24 O32 Zn4 -
4
0.5
JZ1001
Chen, X.-M.; Wang, R.-Q.; Yu, X.-L.
Tris(2,2'-bipyridine)zinc(II) Perchlorate
Acta Crystallographica Section C
1,995
51
8
1545
1547
10.1107/S0108270195000321
0.71073
MoKα
null
0.047
null
null
0.0646
null
null
null
null
2.05
2.05
null
null
null
has coordinates
Chen, X.-M.; Wang, R.-Q.; Yu, X.-L. Tris(2,2'-bipyridine)zinc(II) Perchlorate Acta Crystallographica Section C 51(8) (1995) 1545-1547
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003793.cif $ #-------------------------------------------------------------------...
2,003,794
20.32
0.003
18.618
0.004
5.095
0.002
90
null
90
null
90
null
1,927.5
0.9
294
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
61
- C10 H12 N2 O2 -
- C10 H12 N2 O2 -
- C80 H96 N16 O16 -
8
1
JZ1016
Sudha, L.; Subramanian, K.; Sivaraman, J.; Sriraghavan, K.; Steiner, Th.
5-Amino-8-methyl-2-quinolone Monohydrate
Acta Crystallographica Section C
1,995
51
8
1689
1691
10.1107/S0108270195001867
1.54184
CuKα
null
0.054
null
null
0.062
null
null
null
null
1.22
1.22
null
null
null
has coordinates
Sudha, L.; Subramanian, K.; Sivaraman, J.; Sriraghavan, K.; Steiner, Th. 5-Amino-8-methyl-2-quinolone Monohydrate Acta Crystallographica Section C 51(8) (1995) 1689-1691
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003794.cif $ #-------------------------------------------------------------------...
2,003,795
9.441
0.001
9.441
0.002
39.253
0.005
90
null
90
null
90
null
3,498.7
0.9
295
null
null
null
null
null
null
null
4
P 41 21 2
P 4abw 2nw
92
- C19 H23 N O4 -
- C19 H23 N O4 -
- C152 H184 N8 O32 -
8
1
KA1093
Stankovic, S.; Lazar, D.; Petrovic, J.; Miljovic, D.; Pejanovic, V.; Courseille, C.
17β-Hydroxy-3-methoxyestra-1,3,5(10)-triene-6,7-dione 7-Oxime
Acta Crystallographica Section C
1,995
51
8
1581
1583
10.1107/S0108270195001375
1.54184
CuKα
null
0.06
null
null
0.063
null
null
null
null
1.9
1.9
null
null
null
has coordinates
Stankovic, S.; Lazar, D.; Petrovic, J.; Miljovic, D.; Pejanovic, V.; Courseille, C. 17β-Hydroxy-3-methoxyestra-1,3,5(10)-triene-6,7-dione 7-Oxime Acta Crystallographica Section C 51(8) (1995) 1581-1583
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003795.cif $ #-------------------------------------------------------------------...
4,322,351
7.0155
0.0006
8.0904
0.0009
9.2644
0.0011
112.611
0.013
90.819
0.008
92.824
0.007
484.51
0.1
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
- C8 H20 Cu3 N2 O14 P4 -
- C8 H20 Cu3 N2 O14 P4 -
- C8 H20 Cu3 N2 O14 P4 -
1
0.5
Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin
Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate)
Inorganic Chemistry
1,999
38
5061
5066
10.1021/ic990481r
0.71073
MoKα
0.0308
0.0297
null
0.0849
0.0839
null
null
null
1.073
1.086
1.086
null
null
null
has coordinates
Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate) Inorganic Chemistry 38 (1999) 5061-5066
179,326
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322351.cif $ #-------------------------------------------------------------------...
2,003,796
24.612
0.006
60.31
0.008
9.131
0.007
90
null
90
null
90
null
13,554
11
293
2
293
2
null
null
null
null
synthesis
4
F d d 2
F 2 -2d
43
Depogen
- C33 H43 N5 O9 -
- C33 H43 N5 O9 -
- C528 H688 N80 O144 -
16
1
KA1104
Böcskei, Z.; Simon, K.; Friesz, A.; Hermecz, I.
Depogen, a Haemorheological Agent
Acta Crystallographica Section C
1,995
51
8
1587
1590
10.1107/S0108270195000709
1.5418
CuKα
0.1266
0.0581
null
0.2132
0.1556
null
null
null
1.024
1.126
1.126
null
null
null
has coordinates,has disorder,has Fobs
Böcskei, Z.; Simon, K.; Friesz, A.; Hermecz, I. Depogen, a Haemorheological Agent Acta Crystallographica Section C 51(8) (1995) 1587-1590
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/2/00/37/2003796.cif $ #-------------------------------------------------------------------...
2,003,797
8.869
0.001
21.561
0.003
9.014
0.001
90
null
98.33
0.02
90
null
1,705.5
0.4
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C18 H15 N3 O4 S -
- C18 H15 N3 O4 S -
- C72 H60 N12 O16 S4 -
4
1
KA1106
Główka, M. L.; Olubek, Z.; Olczak, A.
3-Nitro-<i>N</i>-phenyl-4-(phenylamino)benzenesulfonamide
Acta Crystallographica Section C
1,995
51
8
1639
1641
10.1107/S0108270195001776
1.54178
CuKα
null
0.039
null
null
0.062
null
null
null
null
1.072
1.072
null
null
null
has coordinates
Główka, M. L.; Olubek, Z.; Olczak, A. 3-Nitro-<i>N</i>-phenyl-4-(phenylamino)benzenesulfonamide Acta Crystallographica Section C 51(8) (1995) 1639-1641
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003797.cif $ #-------------------------------------------------------------------...
2,003,798
5.522
0.005
19.389
0.017
8.208
0.006
90
null
92.68
0.07
90
null
877.8
1.3
293
1
293
1
null
null
null
null
4
P 1 21 1
P 2yb
4
L-(+)-α-Bromobenzeneacetic acid, (-)-Menthyl ester
- C18 H25 Br O2 -
- C18 H25 Br O2 -
- C36 H50 Br2 O4 -
2
1
KA1107
Kolev, T.; Preut, H.; Koniczek, L.; Bleckmann, P.; Juchnovski, I.; Mladenova, M.
<small>L</small>-(+)-α-Bromobenzeneacetic Acid ({-})-Menthyl Ester
Acta Crystallographica Section C
1,995
51
8
1634
1636
10.1107/S0108270195001430
0.71073
MoKα
0.0406
0.0292
null
0.0401
0.0299
null
null
null
null
0.68
0.68
null
null
null
has coordinates
Kolev, T.; Preut, H.; Koniczek, L.; Bleckmann, P.; Juchnovski, I.; Mladenova, M. <small>L</small>-(+)-α-Bromobenzeneacetic Acid ({-})-Menthyl Ester Acta Crystallographica Section C 51(8) (1995) 1634-1636
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003798.cif $ #-------------------------------------------------------------------...
2,003,799
7.032
0.001
7.443
0.001
19.574
0.004
90
null
90
null
90
null
1,024.5
0.3
293
2
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
2-(2-Methoxyphenyl)pyridine-N-oxide
- C12 H11 N O2 -
- C12 H11 N O2 -
- C48 H44 N4 O8 -
4
1
KA1113
Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.
2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative
Acta Crystallographica Section C
1,995
51
8
1590
1593
10.1107/S0108270195002083
1.54178
CuKα
0.0413
0.0398
null
0.1164
0.1157
null
null
null
1.098
1.113
1.113
null
null
null
has coordinates
Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z. 2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative Acta Crystallographica Section C 51(8) (1995) 1590-1593
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/37/2003799.cif $ #-------------------------------------------------------------------...
2,003,800
10.677
0.002
7.75
0.001
13.961
0.003
90
null
104.77
0.01
90
null
1,117.1
0.4
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
2-(2-methoxyphenyl)-3-methylpyridine-1-oxide
- C13 H13 N O2 -
- C13 H13 N O2 -
- C52 H52 N4 O8 -
4
1
KA1113
Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.
2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative
Acta Crystallographica Section C
1,995
51
8
1590
1593
10.1107/S0108270195002083
1.54178
CuKα
0.0444
0.0371
null
0.1047
0.0981
null
null
null
1.176
1.205
1.205
null
null
null
has coordinates
Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z. 2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative Acta Crystallographica Section C 51(8) (1995) 1590-1593
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003800.cif $ #-------------------------------------------------------------------...
2,003,801
11.028
0.002
11.308
0.003
10.988
0.003
117.1
0.02
114.48
0.02
77.16
0.02
1,109.2
0.5
294
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C12 H44 Cl6 Er2 N4 O40 -
- C12 Cl6 Er2 N4 O40 -
- C12 Cl6 Er2 N4 O40 -
1
0.5
KH1001
Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z.
Tetrakis(μ-<small>DL</small>-alanine-<i>O</i>:<i>O</i>')octaaquadierbium(III) Hexaperchlorate
Acta Crystallographica Section C
1,995
51
8
1565
1568
10.1107/S0108270194013752
0.71073
MoKα
null
0.03
null
null
0.033
null
null
null
null
1.39
1.39
null
null
null
has coordinates
Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z. Tetrakis(μ-<small>DL</small>-alanine-<i>O</i>:<i>O</i>')octaaquadierbium(III) Hexaperchlorate Acta Crystallographica Section C 51(8) (1995) 1565-1568
208,885
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-06 23:38:22 +0300 (Fri, 06 Jul 2018) $ #$Revision: 208885 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003801.cif $ #-------------------------------------------------------------------...
2,003,802
7.9455
0.0011
5.8831
0.0007
12.56
0.002
90
null
100.822
0.011
90
null
576.67
0.14
293
1
293
1
null
null
null
null
Lowe & Tsanaktsidis
3
P 1 21/c 1
-P 2ybc
14
(1) Dimethyl 2-methylcubane-1,4-dicarboxylate
- C13 H14 O4 -
- C13 H14 O4 -
- C26 H28 O8 -
2
0.5
KH1021
Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.
Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate
Acta Crystallographica Section C
1,995
51
8
1658
1661
10.1107/S0108270195002411
0.71069
MoKα
0.0551
0.0465
null
0.1279
0.1233
null
null
null
1.088
1.179
1.179
null
null
null
has coordinates,has disorder
Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J. Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate Acta Crystallographica Section C 51(8) (1995) 1658-1661
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/2/00/38/2003802.cif $ #-------------------------------------------------------------------...
2,003,803
6.5835
0.0012
9.487
0.002
10.546
0.002
74.1
0.02
83.81
0.02
87.89
0.02
629.8
0.2
293
1
293
1
null
null
null
null
Cristiano & Tsanaktsidis
3
P -1
-P 1
2
(2) Dimethyl 2,3 Dimethylcubane-1,4-dicarboxylate
- C14 H16 O4 -
- C14 H16 O4 -
- C28 H32 O8 -
2
1
KH1021
Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.
Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate
Acta Crystallographica Section C
1,995
51
8
1658
1661
10.1107/S0108270195002411
0.71069
MoKα
0.0551
0.0439
null
0.133
0.1256
null
null
null
1.064
1.144
1.144
null
null
null
has coordinates
Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J. Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate Acta Crystallographica Section C 51(8) (1995) 1658-1661
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003803.cif $ #-------------------------------------------------------------------...
2,003,804
10.527
0.003
12.163
0.003
12.653
0.005
107.36
0.03
104.31
0.03
108.6
0.02
1,356.5
0.9
133
null
133
null
null
null
null
null
5
P -1
-P 1
2
- C50 H58 Cu4 N18 S4 -
- C50 H58 Cu4 N18 S4 -
- C50 H58 Cu4 N18 S4 -
1
0.5
KH1024
Brooker, S.; Carter, B. M.
Synthesis and Structure of a Tetracopper(II) Complex of a Pyrrole-Containing Unsymmetrical Binucleating Ligand: [Cu~2~<i>L</i>(NCS)~2~]~2~
Acta Crystallographica Section C
1,995
51
8
1522
1524
10.1107/S0108270195001363
0.71073
MoKα
0.0807
0.045
null
0.0966
0.0838
null
null
null
1.052
1.103
1.103
null
null
null
has coordinates
Brooker, S.; Carter, B. M. Synthesis and Structure of a Tetracopper(II) Complex of a Pyrrole-Containing Unsymmetrical Binucleating Ligand: [Cu~2~<i>L</i>(NCS)~2~]~2~ Acta Crystallographica Section C 51(8) (1995) 1522-1524
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003804.cif $ #-------------------------------------------------------------------...
2,003,805
8.128
0.003
10.174
0.003
11.191
0.004
115.19
0.03
97.27
0.03
105.55
0.03
775.4
0.6
298
null
null
null
null
null
null
null
see text
5
P -1
-P 1
2
- C40 H28 N2 Ni O6 -
- C40 H28 N2 Ni O6 -
- C40 H28 N2 Ni O6 -
1
0.5
LI1124
Farina, Y.; Yamin, B. M.; Fun, H.-K.; Yip, B.-C.; Teoh, S.-G.
<i>trans</i>-Bis(3-hydroxy-2-phenyl-4<i>H</i>-1-benzopyran-4-onato)bis(pyridine)nickel(II)
Acta Crystallographica Section C
1,995
51
8
1537
1540
10.1107/S0108270195000825
0.7107
MoKα
null
0.0389
null
null
0.0477
null
null
null
null
1.24
1.24
null
null
null
has coordinates
Farina, Y.; Yamin, B. M.; Fun, H.-K.; Yip, B.-C.; Teoh, S.-G. <i>trans</i>-Bis(3-hydroxy-2-phenyl-4<i>H</i>-1-benzopyran-4-onato)bis(pyridine)nickel(II) Acta Crystallographica Section C 51(8) (1995) 1537-1540
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003805.cif $ #-------------------------------------------------------------------...
4,322,350
7.484
0.0012
8.032
0.003
10.007
0.002
111.68
0.02
96.188
0.014
96.97
0.02
547.2
0.3
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
- C4 H13 Cu1.5 N O8 P2 -
- C3.999 H12.997 Cu1.5 N O8 P2 -
- C7.998 H25.994 Cu3 N2 O16 P4 -
2
1
Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin
Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate)
Inorganic Chemistry
1,999
38
5061
5066
10.1021/ic990481r
0.71073
MoKα
0.0617
0.0527
null
0.1523
0.1432
null
null
null
1.057
1.084
1.084
null
null
null
has coordinates,has disorder
Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate) Inorganic Chemistry 38 (1999) 5061-5066
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/4/32/23/4322350.cif $ #-------------------------------------------------------------------...
2,003,806
13.188
0.002
7.722
0.001
21.178
0.003
90
null
90
null
90
null
2,156.7
0.5
298
null
null
null
null
null
null
null
prepared in the laboratory
5
P b c a
-P 2ac 2ab
61
- C13 H9 N O S -
- C13 H9 N O S -
- C104 H72 N8 O8 S8 -
8
1
LI1128
Teo, S.-B.; Okechuckwu, R. C.; Teoh, S.-G.; Fun, H.-K.; Chinnakali, K.
2-(4-Hydroxyphenyl)benzothiazole
Acta Crystallographica Section C
1,995
51
8
1629
1630
10.1107/S0108270195002071
0.71069
MoKα
null
0.0371
null
null
0.0573
null
null
null
null
1.34
1.34
null
null
null
has coordinates
Teo, S.-B.; Okechuckwu, R. C.; Teoh, S.-G.; Fun, H.-K.; Chinnakali, K. 2-(4-Hydroxyphenyl)benzothiazole Acta Crystallographica Section C 51(8) (1995) 1629-1630
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003806.cif $ #-------------------------------------------------------------------...
2,003,807
7.242
0.003
8.454
0.003
12.23
0.006
74.53
0.03
74.15
0.03
78.64
0.03
688
0.5
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
Mono-[N-(3-aminopropyl)-1,3-propanediamine] diaquasulfatonickel(II) monohydrate
- C6 H23 N3 Ni O7 S -
- C6 H23 N3 Ni O7 S -
- C12 H46 N6 Ni2 O14 S2 -
2
1
LI1131
Mukherjee, M.; Mukherjee, A. K.; Pariya, C.; Ray Chaudhuri, N.
[<i>N</i>-(3-Aminopropyl)-1,3-propanediamine]diaquasulfatonickel(II) Monohydrate, [Ni(SO~4~)(dpt)(H~2~O)~2~].H~2~O [dpt = NH~2~(CH~2~)~3~NH(CH~2~)~3~NH~2~]
Acta Crystallographica Section C
1,995
51
8
1543
1545
10.1107/S0108270195000813
0.71073
MoKα
0.0329
0.0246
null
0.0789
0.0579
null
null
null
0.944
0.947
0.947
null
null
null
has coordinates
Mukherjee, M.; Mukherjee, A. K.; Pariya, C.; Ray Chaudhuri, N. [<i>N</i>-(3-Aminopropyl)-1,3-propanediamine]diaquasulfatonickel(II) Monohydrate, [Ni(SO~4~)(dpt)(H~2~O)~2~].H~2~O [dpt = NH~2~(CH~2~)~3~NH(CH~2~)~3~NH~2~] Acta Crystallographica Section C 51(8) (1995) 1543-1545
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003807.cif $ #-------------------------------------------------------------------...
2,003,808
10.06
0.002
13.953
0.005
23.804
0.004
90
null
95.27
0.01
90
null
3,327.2
1.5
293
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C24 H38 La2 O16 -
- C24 H38 La2 O16 -
- C96 H152 La8 O64 -
4
0.5
MU1143
Lu, W.-M.; Wu, J.-B.; Dong, N.; Chun, W.-G.; Gu, J.-M.; Liang, K.-L.
<i>catena</i>-Diaquatris(α-methylacrylato)lanthanum(III)
Acta Crystallographica Section C
1,995
51
8
1568
1570
10.1107/S0108270194013223
0.71073
MoKα
null
0.0471
null
null
0.056
null
null
null
null
5.991
5.991
null
null
null
has coordinates
Lu, W.-M.; Wu, J.-B.; Dong, N.; Chun, W.-G.; Gu, J.-M.; Liang, K.-L. <i>catena</i>-Diaquatris(α-methylacrylato)lanthanum(III) Acta Crystallographica Section C 51(8) (1995) 1568-1570
191,094
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-30 15:55:43 +0200 (Mon, 30 Jan 2017) $ #$Revision: 191094 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003808.cif $ #-------------------------------------------------------------------...
2,003,809
25.64
0.005
8.4901
0.0008
17.662
0.002
90
null
94.22
0.01
90
null
3,834.3
0.9
298
null
null
null
null
null
null
null
evaporation from CH~2~Cl~2~/n-hexane
5
C 1 2/c 1
-C 2yc
15
- C39 H30 Cr2 O10 P2 -
- C39 H30 Cr2 O10 P2 -
- C156 H120 Cr8 O40 P8 -
4
0.5
MU1146
Ueng, C.-H.; Shih, G.-Y.
[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]
Acta Crystallographica Section C
1,995
51
8
1524
1526
10.1107/S0108270194014605
0.71073
MoKα
null
0.034
null
null
0.029
null
null
null
null
3.13
3.13
null
null
null
has coordinates
Ueng, C.-H.; Shih, G.-Y. [<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~] Acta Crystallographica Section C 51(8) (1995) 1524-1526
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/2/00/38/2003809.cif $ #-------------------------------------------------------------------...
2,003,810
25.956
0.004
8.553
0.001
17.784
0.003
90
null
94.04
0.01
90
null
3,938.3
1
298
null
null
null
null
null
null
null
evaporation from CH~2~Cl~2~/n-hexane
5
C 1 2/c 1
-C 2yc
15
- C39 H30 O10 P2 W2 -
- C39 H30 O10 P2 W2 -
- C156 H120 O40 P8 W8 -
4
0.5
MU1146
Ueng, C.-H.; Shih, G.-Y.
[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]
Acta Crystallographica Section C
1,995
51
8
1524
1526
10.1107/S0108270194014605
0.71073
MoKα
null
0.028
null
null
0.026
null
null
null
null
2.92
2.92
null
null
null
has coordinates
Ueng, C.-H.; Shih, G.-Y. [<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~] Acta Crystallographica Section C 51(8) (1995) 1524-1526
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/2/00/38/2003810.cif $ #-------------------------------------------------------------------...
2,003,811
11.002
0.006
8.857
0.004
12.246
0.005
90
null
91.38
0.03
90
null
1,193
1
293
null
null
null
null
null
null
null
see text
4
P 1 21/a 1
-P 2yab
14
- C12 H10 As I -
- C12 H10 As I -
- C48 H40 As4 I4 -
4
1
MU1163
Begley, M. J.; Sowerby, D. B.; Silaghi-Dumitrescu, L.
Diphenylarsenic(III) Iodide
Acta Crystallographica Section C
1,995
51
8
1632
1634
10.1107/S0108270195001466
0.71073
MoKα
null
0.039
null
null
0.045
null
null
null
null
null
null
null
null
null
has coordinates
Begley, M. J.; Sowerby, D. B.; Silaghi-Dumitrescu, L. Diphenylarsenic(III) Iodide Acta Crystallographica Section C 51(8) (1995) 1632-1634
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003811.cif $ #-------------------------------------------------------------------...
2,003,812
19.656
0.003
35.939
0.002
12.149
0.002
90
null
90
null
90
null
8,582
2
298
null
null
null
null
null
null
null
see text
6
F d d 2
F 2 -2d
43
- C10 H28 La N2 Na O16 -
- C10 H16 La N2 Na O16 -
- C160 H256 La16 N32 Na16 O256 -
16
1
MU1164
Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.
Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts
Acta Crystallographica Section C
1,995
51
8
1559
1563
10.1107/S0108270195001843
0.71073
MoKα
null
0.027
null
null
0.034
null
null
null
null
1.93
1.93
null
null
null
has coordinates
Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T. Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts Acta Crystallographica Section C 51(8) (1995) 1559-1563
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/2/00/38/2003812.cif $ #-------------------------------------------------------------------...
2,003,813
19.543
0.005
35.683
0.008
12.142
0.005
90
null
90
null
90
null
8,467
5
298
null
null
null
null
null
null
null
see text
6
F d d 2
F 2 -2d
43
- C10 H28 N2 Na Nd O16 -
- C10 N2 Na Nd O16 -
- C160 N32 Na16 Nd16 O256 -
16
1
MU1164
Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.
Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts
Acta Crystallographica Section C
1,995
51
8
1559
1563
10.1107/S0108270195001843
0.71073
MoKα
null
0.025
null
null
0.031
null
null
null
null
1.56
1.56
null
null
null
has coordinates
Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T. Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts Acta Crystallographica Section C 51(8) (1995) 1559-1563
191,094
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-30 15:55:43 +0200 (Mon, 30 Jan 2017) $ #$Revision: 191094 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003813.cif $ #-------------------------------------------------------------------...
2,003,814
19.46
0.003
35.583
0.003
12.127
0.003
90
null
90
null
90
null
8,397
3
298
null
null
null
null
null
null
null
see text
6
F d d 2
F 2 -2d
43
- C10 H28 Eu N2 Na O16 -
- C10 Eu N2 Na O16 -
- C160 Eu16 N32 Na16 O256 -
16
1
MU1164
Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.
Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts
Acta Crystallographica Section C
1,995
51
8
1559
1563
10.1107/S0108270195001843
0.71073
MoKα
null
0.028
null
null
0.032
null
null
null
null
1.97
1.97
null
null
null
has coordinates
Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T. Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts Acta Crystallographica Section C 51(8) (1995) 1559-1563
191,094
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-30 15:55:43 +0200 (Mon, 30 Jan 2017) $ #$Revision: 191094 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003814.cif $ #-------------------------------------------------------------------...
4,322,349
6.2137
0.0013
14.7472
0.0015
11.1802
0.0012
90
null
105.834
0.015
90
null
985.6
0.3
293
2
293
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C4 H24 Cu3 N2 O18 P4 -
- C4 H24 Cu3 N2 O18 P4 -
- C8 H48 Cu6 N4 O36 P8 -
2
0.5
Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin
Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate)
Inorganic Chemistry
1,999
38
5061
5066
10.1021/ic990481r
0.71073
MoKα
0.0439
0.0435
null
0.1174
0.1168
null
null
null
1.103
1.105
1.105
null
null
null
has coordinates
Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate) Inorganic Chemistry 38 (1999) 5061-5066
179,326
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322349.cif $ #-------------------------------------------------------------------...
2,003,815
7.494
0.001
7.538
0.003
38.3
0.09
90
null
90
null
90
null
2,164
5
293
2
293
2
null
null
null
null
chemical synthesis
5
P 21 21 21
P 2ac 2ab
19
(1S)-2-[(1R,1'R)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol
- C21 H33 Cl N2 O2 -
- C21 H33 Cl N2 O2 -
- C84 H132 Cl4 N8 O8 -
4
1
MU1165
Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.
Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic
Acta Crystallographica Section C
1,995
51
8
1675
1680
10.1107/S0108270195001478
1.54056
CuKα
0.2612
0.0784
null
0.327
0.2139
null
null
null
0.904
1.236
1.236
null
null
null
has coordinates
Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F. Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic Acta Crystallographica Section C 51(8) (1995) 1675-1680
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003815.cif $ #-------------------------------------------------------------------...
2,003,816
17.224
0.003
17.224
0.003
7.416
0.002
90
null
90
null
90
null
2,200.1
0.8
293
2
293
2
null
null
null
null
chemical synthesis
5
P 43
P 4cw
78
(1S)-2-[(1S,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol
- C21 H33 Cl N2 O2 -
- C21 H33 Cl N2 O2 -
- C84 H132 Cl4 N8 O8 -
4
1
MU1165
Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.
Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic
Acta Crystallographica Section C
1,995
51
8
1675
1680
10.1107/S0108270195001478
1.54178
CuKα
0.1211
0.0616
null
0.1876
0.1527
null
null
null
0.958
1.139
1.139
null
null
null
has coordinates
Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F. Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic Acta Crystallographica Section C 51(8) (1995) 1675-1680
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003816.cif $ #-------------------------------------------------------------------...
2,003,817
13.627
0.002
7.298
0.002
11.527
0.002
90
null
108.16
0.01
90
null
1,089.3
0.4
293
2
293
2
null
null
null
null
chemical synthesis
5
P 1 21 1
P 2yb
4
(1S)-2-[(1R,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol
- C21 H33 Cl N2 O2 -
- C21 H33 Cl N2 O2 -
- C42 H66 Cl2 N4 O4 -
2
1
MU1165
Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.
Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic
Acta Crystallographica Section C
1,995
51
8
1675
1680
10.1107/S0108270195001478
1.54178
CuKα
0.072
0.0369
null
0.0924
0.0831
null
null
null
0.795
0.997
0.997
null
null
null
has coordinates
Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F. Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic Acta Crystallographica Section C 51(8) (1995) 1675-1680
301,791
2025-08-18
23:15:25
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2,003,818
10.567
0.003
11.156
0.003
9.54
0.002
90
null
95.42
0.04
90
null
1,119.6
0.5
293
null
null
null
null
null
null
null
see text
5
P 1 21/c 1
-P 2ybc
14
- C6 H11 N3 O5 S2 -
- C6 H11 N3 O5 S2 -
- C24 H44 N12 O20 S8 -
4
1
MU1166
Kubiak, M.; Glowiak, T.; Raper, E. S.
(2-Oxo-1,3-thiazolidin-3-yl)carbonylthioethylammonium Nitrate, C~6~H~11~N~2~O~2~S~2~^+^.NO~3~^{-^}
Acta Crystallographica Section C
1,995
51
8
1691
1693
10.1107/S010827019500148X
0.71069
MoKα
null
0.038
null
null
0.041
null
null
null
null
3.81
3.81
null
null
null
has coordinates
Kubiak, M.; Glowiak, T.; Raper, E. S. (2-Oxo-1,3-thiazolidin-3-yl)carbonylthioethylammonium Nitrate, C~6~H~11~N~2~O~2~S~2~^+^.NO~3~^{-^} Acta Crystallographica Section C 51(8) (1995) 1691-1693
301,791
2025-08-18
23:15:25
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2,003,819
8.235
0.002
8.602
0.001
19.604
0.001
90
null
90
null
90
null
1,388.7
0.4
293
null
null
null
null
null
null
null
synthesis and recrystallization
5
P 21 21 21
P 2ac 2ab
19
- C12 H17 Cl2 Cu N3 -
- C12 H17 Cl2 Cu N3 -
- C48 H68 Cl8 Cu4 N12 -
4
1
MU1170
Wong, W.-T.; Leung, W.-H.; Chan, E. Y. Y.
Dichloro[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(2-pyridylmethylene)-1,2-cyclohexanediamine]copper(II)
Acta Crystallographica Section C
1,995
51
8
1519
1520
10.1107/S010827019500223X
0.71073
MoKα
null
0.031
null
null
0.042
null
null
null
null
1.034
1.034
null
null
null
has coordinates
Wong, W.-T.; Leung, W.-H.; Chan, E. Y. Y. Dichloro[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(2-pyridylmethylene)-1,2-cyclohexanediamine]copper(II) Acta Crystallographica Section C 51(8) (1995) 1519-1520
190,732
2020-10-21
18:00:00
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2,003,820
13.029
0.002
25.722
0.009
13.791
0.006
90
null
90
null
90
null
4,622
3
293
null
null
null
null
null
null
null
7
P b c a
-P 2ac 2ab
61
- C17 H24 Cl2 Cr F6 N4 P -
- C17 H24 Cl2 Cr F6 N4 P -
- C136 H192 Cl16 Cr8 F48 N32 P8 -
8
1
MU1171
Wong, W.-T.; Leung, W.-H.
<i>cis</i>-Dichloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)-1,3-propanediamine]chromium(III) Hexafluorophosphate
Acta Crystallographica Section C
1,995
51
8
1494
1495
10.1107/S0108270195002241
0.71073
MoKα
null
0.074
null
null
0.088
null
null
null
null
3.061
3.061
null
null
null
has coordinates
Wong, W.-T.; Leung, W.-H. <i>cis</i>-Dichloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)-1,3-propanediamine]chromium(III) Hexafluorophosphate Acta Crystallographica Section C 51(8) (1995) 1494-1495
176,759
2020-10-21
18:00:00
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2,003,821
25.975
0.003
8.013
0.002
14.051
0.002
90
null
110.34
0.02
90
null
2,742.2
0.9
299
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C10 H14 Cl3 Hg N2 -
- C10 H14 Cl3 Hg N2 -
- C80 H112 Cl24 Hg8 N16 -
8
1
NA1108
Zouari, F.; Ben Salah, A.; Hovestreydt, E. R.
Phenylpiperazinium Trichloromercurate
Acta Crystallographica Section C
1,995
51
8
1563
1565
10.1107/S0108270194013454
0.71073
MoKα
null
0.0529
null
null
0.0615
null
null
null
null
1.14
1.14
null
null
null
has coordinates
Zouari, F.; Ben Salah, A.; Hovestreydt, E. R. Phenylpiperazinium Trichloromercurate Acta Crystallographica Section C 51(8) (1995) 1563-1565
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/2/00/38/2003821.cif $ #-------------------------------------------------------------------...
2,003,822
19.1
0.002
9.826
0.001
13.411
0.001
90
null
129.53
0.06
90
null
1,941.3
1.7
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C8 H11 Cl N6 -
- C8 H11 Cl N6 -
- C64 H88 Cl8 N48 -
8
2
NA1131
Carugo, O.; Castellani, C. B.; Perotti, A.
Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O
Acta Crystallographica Section C
1,995
51
8
1683
1687
10.1107/S0108270195000187
1.54184
CuKα
null
0.047
null
null
0.031
null
null
null
null
0.899
0.899
null
null
null
has coordinates
Carugo, O.; Castellani, C. B.; Perotti, A. Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O Acta Crystallographica Section C 51(8) (1995) 1683-1687
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003822.cif $ #-------------------------------------------------------------------...
2,003,823
9.819
0.001
21.581
0.002
7.027
0.001
90
null
113.88
0.06
90
null
1,361.6
0.7
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C8 H16 Cl2 N6 O2 -
- C8 H16 Cl2 N6 O2 -
- C32 H64 Cl8 N24 O8 -
4
1
NA1131
Carugo, O.; Castellani, C. B.; Perotti, A.
Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O
Acta Crystallographica Section C
1,995
51
8
1683
1687
10.1107/S0108270195000187
1.54184
CuKα
null
0.039
null
null
0.03
null
null
null
null
0.935
0.935
null
null
null
has coordinates
Carugo, O.; Castellani, C. B.; Perotti, A. Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O Acta Crystallographica Section C 51(8) (1995) 1683-1687
190,732
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $ #$Revision: 190732 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003823.cif $ #-------------------------------------------------------------------...
4,322,348
18.96
0.007
25.99
0.015
20.669
0.005
90
null
109.58
0.02
90
null
9,596
7
295
null
295
null
null
null
null
null
?
6
P 1 21/n 1
-P 2yn
14
- C48 H126 Mo12 N6 Ni2 O48 -
- C48 Mo12 N6 Ni2 O48 -
- C192 Mo48 N24 Ni8 O192 -
4
1
Richard Villanneau; Anna Proust; Francis Robert; Pierre Veillet; Pierre Gouzerh
Synthesis, Structure, and Magnetic Properties of (n-Bu4N)2[{Ni(MeOH)2}2{Mo(NO)}2(μ3-OH)2(μ-OMe)4{Mo5O13(OMe)4(NO)}2], a New Type of Polyoxometalate Incorporating a Rhomb-like Cluster
Inorganic Chemistry
1,999
38
4981
4985
10.1021/ic990480z
0.71073
MoKα
null
0.0869
null
null
0.0942
null
null
null
null
3.1584
3.1584
null
null
null
has coordinates
Richard Villanneau; Anna Proust; Francis Robert; Pierre Veillet; Pierre Gouzerh Synthesis, Structure, and Magnetic Properties of (n-Bu4N)2[{Ni(MeOH)2}2{Mo(NO)}2(μ3-OH)2(μ-OMe)4{Mo5O13(OMe)4(NO)}2], a New Type of Polyoxometalate Incorporating a Rhomb-like Cluster Inorganic Chemistry 38 (1999) 4981-4985
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/4/32/23/4322348.cif $ #-------------------------------------------------------------------...
2,003,824
34.342
0.009
12.642
0.002
34.23
0.009
90
null
119.43
0.02
90
null
12,943
6
295
null
null
null
null
null
null
null
see text
5
C 1 2/c 1
-C 2yc
15
- C120 H190 N8 O17 U2 -
- C122 N8 O17 U2 -
- C488 N32 O68 U8 -
4
0.5
NA1138
Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.
A Bimetallic Complex Between Uranyl and <i>p</i>-<i>tert</i>-Butylcalix[8]arene
Acta Crystallographica Section C
1,995
51
8
1570
1574
10.1107/S0108270195000710
0.71073
MoKα
null
0.052
null
null
0.073
null
null
null
null
2.92
2.92
null
null
null
has coordinates
Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M. A Bimetallic Complex Between Uranyl and <i>p</i>-<i>tert</i>-Butylcalix[8]arene Acta Crystallographica Section C 51(8) (1995) 1570-1574
176,759
2020-10-21
18:00:00
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2,003,825
7.624
0.002
10.027
0.002
12.001
0.003
97.46
0.01
106.79
0.01
108.76
0.01
806.2
0.3
294
2
294
2
null
null
null
null
5
P 1
P 1
1
[(Aqua)(L-serinato)(1,10-phenantroline) copper(II)] nitrate.
- C15 H16 Cu N4 O7 -
- C15 H16 Cu N4 O7 -
- C30 H32 Cu2 N8 O14 -
2
2
NA1141
Moreno-Esparza, R.; Molins, E.; Briansó-Penalva, J. L.; Ruiz-Ramírez, L.; Redón, R.
Aqua(1,10-phenanthroline)(<small>L</small>-serinato)copper(II) Nitrate
Acta Crystallographica Section C
1,995
51
8
1505
1508
10.1107/S0108270195002010
0.71073
MoKα
0.0516
0.0383
null
0.107
0.1018
null
null
null
1.046
1.084
1.084
null
null
null
has coordinates
Moreno-Esparza, R.; Molins, E.; Briansó-Penalva, J. L.; Ruiz-Ramírez, L.; Redón, R. Aqua(1,10-phenanthroline)(<small>L</small>-serinato)copper(II) Nitrate Acta Crystallographica Section C 51(8) (1995) 1505-1508
176,759
2020-10-21
18:00:00
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2,003,826
7.9463
0.0015
9.549
0.005
26.364
0.006
90
null
90
null
90
null
2,000.5
1.2
293
2
293
2
null
null
null
null
slow evaporation of aqueous solution at 293K
4
P b c a
-P 2ac 2ab
61
Potassium_hydrogen_cis-4-cyclohexene-1,2-dicarboxylate_monohydrate
- C8 H11 K O5 -
- C8 H11 K O5 -
- C64 H88 K8 O40 -
8
1
NA1143
Kim, S. A.
Potassium Hydrogen <i>cis</i>-4-Cyclohexene-1,2-dicarboxylate Monohydrate
Acta Crystallographica Section C
1,995
51
8
1486
1488
10.1107/S0108270195001673
0.71069
MoKα
0.0674
0.0434
null
0.1286
0.1121
null
null
null
1.026
1.081
1.081
null
null
null
has coordinates
Kim, S. A. Potassium Hydrogen <i>cis</i>-4-Cyclohexene-1,2-dicarboxylate Monohydrate Acta Crystallographica Section C 51(8) (1995) 1486-1488
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/2/00/38/2003826.cif $ #-------------------------------------------------------------------...
2,003,827
6.988
0.002
14.11
0.003
30.133
0.006
90
null
90
null
90
null
2,971.1
1.2
293
2
293
2
null
null
null
null
recrystallized from an aqueous solution at room temperature
5
P b c a
-P 2ac 2ab
61
3-[(2-benzotrifluoride)-2-hydroxy-3H-naphth-3-ylidene)methyl]aldamine
- C18 H12 F3 N O -
- C18 H12 F3 N O -
- C144 H96 F24 N8 O8 -
8
1
NA1150
Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.
Two 2,3-Naphthalenic Schiff Bases
Acta Crystallographica Section C
1,995
51
8
1643
1646
10.1107/S0108270195001417
1.54178
CuKα
0.0588
0.0554
null
0.1543
0.1497
null
null
null
1.181
1.212
1.212
null
null
null
has coordinates
Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M. Two 2,3-Naphthalenic Schiff Bases Acta Crystallographica Section C 51(8) (1995) 1643-1646
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003827.cif $ #-------------------------------------------------------------------...
2,003,828
6.076
0.002
14.055
0.006
15.087
0.009
90
null
90
null
90
null
1,288.4
1
293
2
293
2
null
null
null
null
recrystallized from an aqueous solution at room temperature
4
P 21 21 21
P 2ac 2ab
19
3-[(tertbutyl)-2-Hydroxy-3H-Naphth-3-ylidene)methyl]aldamine
- C15 H17 N O -
- C15 H17 N O -
- C60 H68 N4 O4 -
4
1
NA1150
Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.
Two 2,3-Naphthalenic Schiff Bases
Acta Crystallographica Section C
1,995
51
8
1643
1646
10.1107/S0108270195001417
1.54178
CuKα
0.0585
0.0554
null
0.1643
0.1597
null
null
null
1.153
1.164
1.164
null
null
null
has coordinates
Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M. Two 2,3-Naphthalenic Schiff Bases Acta Crystallographica Section C 51(8) (1995) 1643-1646
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003828.cif $ #-------------------------------------------------------------------...
2,003,829
12.139
0.003
14.635
0.003
27.951
0.007
90
null
90
null
90
null
4,966
2
293
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C27 H40 O4 -
- C27 H40 O4 -
- C216 H320 O32 -
8
2
Puliti, R.; Mattia, C. A.; Mazzarella, L.
Scalaradial, a Sesterterpenoid Metabolite from the Marine Sponge Cacospongia mollior
Acta Crystallographica Section C
1,995
51
8
1703
1707
10.1107/S0108270195002034
1.54056
CuKα
null
0.04
null
null
0.039
null
null
null
null
0.89
0.89
null
null
null
has coordinates
Puliti, R.; Mattia, C. A.; Mazzarella, L. Scalaradial, a Sesterterpenoid Metabolite from the Marine Sponge Cacospongia mollior Acta Crystallographica Section C 51(8) (1995) 1703-1707
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003829.cif $ #-------------------------------------------------------------------...
2,003,830
8.166
0.002
8.845
0.002
5.934
0.001
102.54
0.02
94.37
0.02
113.57
0.02
377.05
0.16
297
null
null
null
null
null
null
null
hydrothermal synthesis
4
P -1
-P 1
2
- Cu9 H2 O20 P4 -
- Cu9 H2 O20 P4 -
- Cu9 H2 O20 P4 -
1
0.5
OH1045
Yamashita, A.; Kawahara, A.; Sasaki, N.
Synthetic Copper Monophosphate
Acta Crystallographica Section C
1,995
51
8
1483
1485
10.1107/S0108270193008145
0.71069
MoKα
null
0.042
null
null
0.057
null
null
null
null
1.77
1.77
null
null
null
has coordinates
Yamashita, A.; Kawahara, A.; Sasaki, N. Synthetic Copper Monophosphate Acta Crystallographica Section C 51(8) (1995) 1483-1485
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/2/00/38/2003830.cif $ #-------------------------------------------------------------------...
2,003,831
22.288
0.002
22.288
0.002
22.288
0.002
90
null
90
null
90
null
11,071.7
1.7
295
null
null
null
null
null
null
null
synthesis
5
F d -3 c
-F 4ud 2vw 3
null
- Cl5 Cr Cu H18 N6 -
- Cl5 Cr Cu H18 N6 -
- Cl160 Cr32 Cu32 H576 N192 -
32
null
OH1078
Ohba, S.; Fujita, T.; Bernal, I.
Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II)
Acta Crystallographica Section C
1,995
51
8
1481
1483
10.1107/S0108270195001521
0.71073
MoKα
null
0.03
null
null
0.031
null
null
null
null
1.82
1.82
null
null
null
has coordinates
Ohba, S.; Fujita, T.; Bernal, I. Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II) Acta Crystallographica Section C 51(8) (1995) 1481-1483
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/2/00/38/2003831.cif $ #-------------------------------------------------------------------...
4,322,347
6.99
0.001
7.985
0.001
21.177
0.001
90
null
90
null
90
null
1,182
0.2
173
2
173
2
null
null
null
null
4
C m c e
-C 2ac 2
64
trifluoromethyl iodine dichloride
trifluoromethyl iodine dichloride
- C Cl2 F3 I -
- C Cl2 F3 I -
- C8 Cl16 F24 I8 -
8
0.5
Rolf Minkwitz; Michael Berkei
A New Method for Preparation and Crystal Structure of (Trifluoromethyl)iodine Dichloride
Inorganic Chemistry
1,999
38
5041
5044
10.1021/ic990441n
0.71069
MoKα
0.0554
0.0341
null
0.1151
0.0631
null
null
null
1.876
1.177
1.177
null
null
null
has coordinates
Rolf Minkwitz; Michael Berkei A New Method for Preparation and Crystal Structure of (Trifluoromethyl)iodine Dichloride Inorganic Chemistry 38 (1999) 5041-5044
301,838
2025-08-20
22:17:37
#------------------------------------------------------------------------------ #$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/4/32/23/4322347.cif $ #-------------------------------------------------------------------...
2,003,832
22.155
0.003
22.155
0.003
22.181
0.006
90
null
90
null
90
null
10,887
4
120
null
null
null
null
null
null
null
synthesis
5
F 41/a d c
-I 4bd 2c (1/2*x+1/2*y,-1/2*x+1/2*y,z)
142
- Cl5 Cr Cu H18 N6 -
- Cl5 Cr Cu H18 N6 -
- Cl160 Cr32 Cu32 H576 N192 -
32
null
OH1078
Ohba, S.; Fujita, T.; Bernal, I.
Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II)
Acta Crystallographica Section C
1,995
51
8
1481
1483
10.1107/S0108270195001521
0.71073
MoKα
null
0.1
null
null
0.092
null
null
null
null
6.73
6.73
null
null
null
has coordinates
Ohba, S.; Fujita, T.; Bernal, I. Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II) Acta Crystallographica Section C 51(8) (1995) 1481-1483
206,090
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-02-02 19:31:38 +0200 (Fri, 02 Feb 2018) $ #$Revision: 206090 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003832.cif $ #-------------------------------------------------------------------...
2,003,833
6.999
0.001
7.787
0.002
26.933
0.003
91.68
0.02
89.54
0.01
105.37
0.02
1,414.8
0.5
293
null
293
null
null
null
null
null
5
P -1
-P 1
2
2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5,6-dihydro-1,3-dithiolo[4,5-b]-1,4- dithiin tetrafluoroborate (2:1)
- C20 H20 B F4 S12 -
- C20 H16 B F4 S12 -
- C40 H32 B2 F8 S24 -
2
1
OH1079
Saitoh, H.; Saito, K.; Itoh, H.; Mochiduki, T.; Kikuchi, K.; Ikemoto, I.
Organic Metal (DIMET)~2~BF~4~
Acta Crystallographica Section C
1,995
51
8
1656
1658
10.1107/S0108270195001806
0.71068
MoKα
null
0.04
null
null
0.043
null
null
null
null
4.38
4.38
null
null
null
has coordinates
Saitoh, H.; Saito, K.; Itoh, H.; Mochiduki, T.; Kikuchi, K.; Ikemoto, I. Organic Metal (DIMET)~2~BF~4~ Acta Crystallographica Section C 51(8) (1995) 1656-1658
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/2/00/38/2003833.cif $ #-------------------------------------------------------------------...
2,003,834
10.021
0.003
5.991
0.002
18.094
0.006
90
null
101.1
0.03
90
null
1,066
0.6
298
null
null
null
null
null
null
null
synthesis
4
P 1 21/c 1
-P 2ybc
null
- C13 H11 N O2 -
- C13 H11 N O2 -
- C52 H44 N4 O8 -
4
1
PA1059
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.
Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Acta Crystallographica Section C
1,995
51
8
1595
1602
10.1107/S0108270194002945
0.71069
MoKα
null
0.037
null
null
0.037
null
null
null
null
0.83
0.83
null
null
null
has coordinates
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M. Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères Acta Crystallographica Section C 51(8) (1995) 1595-1602
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003834.cif $ #-------------------------------------------------------------------...
2,003,835
11.28
0.05
7.92
0.03
13.45
0.05
90
null
105.16
0.08
90
null
1,160
8
298
null
null
null
null
null
null
null
synthesis
4
P 1 21/c 1
-P 2ybc
null
- C14 H13 N O2 -
- C14 H13 N O2 -
- C56 H52 N4 O8 -
4
1
PA1059
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.
Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Acta Crystallographica Section C
1,995
51
8
1595
1602
10.1107/S0108270194002945
0.71069
MoKα
null
0.072
null
null
0.072
null
null
null
null
0.98
0.98
null
null
null
has coordinates
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M. Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères Acta Crystallographica Section C 51(8) (1995) 1595-1602
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003835.cif $ #-------------------------------------------------------------------...
2,003,836
7.236
0.007
7.714
0.003
21.663
0.007
90
null
112.34
0.06
90
null
1,118.4
1.3
298
null
null
null
null
null
null
null
synthesis
5
P 1 21/c 1
-P 2ybc
null
- C13 H10 Cl N O2 -
- C13 H10 Cl N O2 -
- C52 H40 Cl4 N4 O8 -
4
1
PA1059
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.
Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Acta Crystallographica Section C
1,995
51
8
1595
1602
10.1107/S0108270194002945
0.71069
MoKα
null
0.046
null
null
0.046
null
null
null
null
1.34
1.34
null
null
null
has coordinates
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M. Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères Acta Crystallographica Section C 51(8) (1995) 1595-1602
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003836.cif $ #-------------------------------------------------------------------...
2,003,837
10.749
0.009
9.509
0.003
17.977
0.005
90
null
146.08
0.07
90
null
1,025
2
298
null
null
null
null
null
null
null
synthesis
4
P 1 21/c 1
-P 2ybc
null
- C10 H13 N O2 -
- C10 H13 N O2 -
- C40 H52 N4 O8 -
4
1
PA1059
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.
Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Acta Crystallographica Section C
1,995
51
8
1595
1602
10.1107/S0108270194002945
0.71069
MoKα
null
0.034
null
null
0.034
null
null
null
null
0.046
0.046
null
null
null
has coordinates
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M. Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères Acta Crystallographica Section C 51(8) (1995) 1595-1602
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003837.cif $ #-------------------------------------------------------------------...
2,003,838
9.8
0.02
15.88
0.05
9.38
0.02
96.08
0.08
105.8
0.08
77.3
0.1
1,369
6
100
null
null
null
null
null
null
null
synthesis
4
P -1
-P 1
2
- C10 H11 N O2 -
- C10 H11 N O2 -
- C60 H66 N6 O12 -
6
3
PA1059
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.
Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Acta Crystallographica Section C
1,995
51
8
1595
1602
10.1107/S0108270194002945
1.5428
CuKα
null
0.066
null
null
0.066
null
null
null
null
1.22
1.22
null
null
null
has coordinates
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M. Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères Acta Crystallographica Section C 51(8) (1995) 1595-1602
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003838.cif $ #-------------------------------------------------------------------...
2,003,839
9.598
0.001
11.636
0.002
12.759
0.002
110.64
0.02
107.07
0.02
96.58
0.02
1,236.3
0.4
25
null
null
null
null
null
null
null
methanol solution
4
P -1
-P 1
2
- C10 H20 N2 O3 -
- C10 H19 N2 O3 -
- C40 H76 N8 O12 -
4
2
PA1103
Aubry, A.; Dupont, V.; Marraud, M.
^<i>t^</i>BuCO-ψ[CO-N(OH)]-Gly-NH^<i>i^</i>Pr
Acta Crystallographica Section C
1,995
51
8
1577
1579
10.1107/S0108270194006025
1.5406
CuKα
null
0.074
null
null
0.087
null
null
null
null
10.3
10.3
null
null
null
has coordinates
Aubry, A.; Dupont, V.; Marraud, M. ^<i>t^</i>BuCO-ψ[CO-N(OH)]-Gly-NH^<i>i^</i>Pr Acta Crystallographica Section C 51(8) (1995) 1577-1579
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/2/00/38/2003839.cif $ #-------------------------------------------------------------------...
2,003,840
14.078
0.003
9.473
0.002
14.899
0.003
90
null
79.51
0.03
90
null
1,953.7
0.7
293
null
293
null
null
null
null
null
grown from heptane solution
4
P 1 21/a 1
-P 2yab
14
Spiro[azatricycloundecane-naphthoxazine]
8-methyl-spiro[syn-10,11-benzo-8-azatricyclo[5,2,2,0^1,5^] undecane-9-3'[3H]naphth[1,2b][1,4]oxazine
- C26 H24 N2 O -
- C26 H24 N2 O -
- C104 H96 N8 O4 -
4
1
PA1155
Pèpe, G.; Laréginie, P.; Samat, A.; Guglielmetti, R.; Zaballos, E.
8-Methylspiro(<i>syn</i>-10,11-benzo-8-azatricyclo[5.2.2.0^1,5^]undec-10-ene)-9,3'-[3<i>H</i>]naphth[1,2-<i>b</i>][1,4]oxazine
Acta Crystallographica Section C
1,995
51
8
1617
1619
10.1107/S0108270195000205
1.5418
CuKα
0.0442
0.0442
null
0.0442
0.0442
null
null
null
null
0.71
0.71
null
null
null
has coordinates
Pèpe, G.; Laréginie, P.; Samat, A.; Guglielmetti, R.; Zaballos, E. 8-Methylspiro(<i>syn</i>-10,11-benzo-8-azatricyclo[5.2.2.0^1,5^]undec-10-ene)-9,3'-[3<i>H</i>]naphth[1,2-<i>b</i>][1,4]oxazine Acta Crystallographica Section C 51(8) (1995) 1617-1619
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003840.cif $ #-------------------------------------------------------------------...
2,003,841
7.957
0.005
11.92
0.003
21.533
0.003
90
null
99.72
0.01
90
null
2,013
1.4
293
null
293
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
8-ethoxy-2-methylspiro(syn-5,6-benzo-2-azabicyclo[2,2,2] octane-3,3'-[3H]naphth[2,1,b][1,4]oxazine)
- C25 H24 N2 O2 -
- C25 H24 N2 O2 -
- C100 H96 N8 O8 -
4
1
PA1159
Reboul, J.-P.; Samat, A.; Laréginie, P.; Lokshin, V.; Guglielmetti, R.; Pèpe, G.
Photochromic 8-Ethoxy-2-methylspiro(<i>syn</i>-5,6-benzo-2-azabicyclo[2.2.2]oct-5-ene-3,3'-[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)
Acta Crystallographica Section C
1,995
51
8
1614
1617
10.1107/S0108270195000229
1.5418
CuKα
0.052
0.052
null
0.052
0.052
null
null
null
0.19
0.19
0.19
null
null
null
has coordinates
Reboul, J.-P.; Samat, A.; Laréginie, P.; Lokshin, V.; Guglielmetti, R.; Pèpe, G. Photochromic 8-Ethoxy-2-methylspiro(<i>syn</i>-5,6-benzo-2-azabicyclo[2.2.2]oct-5-ene-3,3'-[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine) Acta Crystallographica Section C 51(8) (1995) 1614-1617
301,791
2025-08-18
23:15:25
#------------------------------------------------------------------------------ #$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/2/00/38/2003841.cif $ #-------------------------------------------------------------------...