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
2,009,556
3.6974
0.0009
3.6974
0.0009
9.508
0.002
90
null
90
null
90
null
129.98
0.05
295
null
null
null
null
null
null
null
3
P 4/n m m :2
-P 4a 2a
129
- Si Te Zr -
- Si Te Zr -
- Si2 Te2 Zr2 -
2
0.125
SE1027
Bensch, W.; Dürichen, P.
Structure of the layer compound ZrSiTe
Acta Crystallographica Section C
1,994
50
3
346
348
10.1107/S0108270193008303
0.7107
MoKα
null
null
null
null
null
null
null
null
null
1.3
1.3
null
null
null
has coordinates
Bensch, W.; Dürichen, P. Structure of the layer compound ZrSiTe Acta Crystallographica Section C 50(3) (1994) 346-348
302,837
2025-10-08
10:28:19
#------------------------------------------------------------------------------ #$Date: 2025-10-08 13:28:15 +0300 (Wed, 08 Oct 2025) $ #$Revision: 302837 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009556.cif $ #-------------------------------------------------------------------...
2,009,557
25.365
0.003
14.985
0.002
12.315
0.002
90
null
90
null
90
null
4,680.9
1.1
292
null
null
null
null
null
null
null
5
P n m a
-P 2ac 2n
62
- Cr3 H32 K3 O51 Si -
- Cr3 K3 O51 Si W9 -
- Cr12 K12 O204 Si4 W36 -
4
0.5
SE1029
Wassermann, K.; Lunk, H.-J.; Palm, R.; Fuchs, J.
A novel triply chromium(III)-substituted keggin anion, [<i>A</i>-α-SiO~4~W~9~Cr~3~(OH~2~)~3~O~33~]^7{‒^}
Acta Crystallographica Section C
1,994
50
3
348
350
10.1107/S0108270193008601
0.71069
MoKα
null
0.063
null
null
0.063
null
null
null
null
1.019
1.019
null
null
null
has coordinates
Wassermann, K.; Lunk, H.-J.; Palm, R.; Fuchs, J. A novel triply chromium(III)-substituted keggin anion, [<i>A</i>-α-SiO~4~W~9~Cr~3~(OH~2~)~3~O~33~]^7{‒^} Acta Crystallographica Section C 50(3) (1994) 348-350
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/2/00/95/2009557.cif $ #-------------------------------------------------------------------...
2,009,558
9.523
0.002
12.849
0.003
17.079
0.003
90
null
92.67
0.03
90
null
2,087.5
0.8
291
1
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C16 H18 N6 S3 Sn -
- C16 H18 N6 S3 Sn -
- C64 H72 N24 S12 Sn4 -
4
2
SE1034
Schmiedgen, R.; Huber, F.; Schürmann, M.
<i>n</i>-Butyltris(2-pyrimidinethiolato-<i>N</i>,<i>S</i>)tin(IV)
Acta Crystallographica Section C
1,994
50
3
391
394
10.1107/S0108270193008315
0.71073
MoKα
null
0.0293
null
null
0.0231
null
null
null
null
0.75
0.75
null
null
null
has coordinates
Schmiedgen, R.; Huber, F.; Schürmann, M. <i>n</i>-Butyltris(2-pyrimidinethiolato-<i>N</i>,<i>S</i>)tin(IV) Acta Crystallographica Section C 50(3) (1994) 391-394
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009558.cif $ #-------------------------------------------------------------------...
4,321,820
13.0052
0.0002
11.224
0.0002
14.307
0.0003
90
null
93.19
0.001
90
null
2,085.16
0.07
298
2
298
2
null
null
null
null
6
P 1 21 1
P 2yb
4
- C42 H41 In N2 P2 S4 -
- C42 H41 In N2 P2 S4 -
- C84 H82 In2 N4 P4 S8 -
2
1
Paulo Pérez-Lourido; Jaime Romero; José Arturo García-Vázquez; Antonio Sousa; Kevin Maresca; Jon Zubieta
Synthesis and Characterization of Indium Compounds with Phosphinothiol Ligands. The Crystal and Molecular Structures of [In{2-(Ph2P)C6H4S}3], [In{2-(Ph2P)-6-(Me3Si)C6H3S}2{2-(Ph2PO)-6-(Me3Si)C6H3S}], and [NMe4][In{PhP(C6H4S-2)2}2].CH3CN
Inorganic Chemistry
1,999
38
1293
1298
10.1021/ic980282s
0.71073
MoKα
0.0381
0.0352
null
0.0929
0.0869
null
null
null
1.122
1.1
1.1
null
null
null
has coordinates
Paulo Pérez-Lourido; Jaime Romero; José Arturo García-Vázquez; Antonio Sousa; Kevin Maresca; Jon Zubieta Synthesis and Characterization of Indium Compounds with Phosphinothiol Ligands. The Crystal and Molecular Structures of [In{2-(Ph2P)C6H4S}3], [In{2-(Ph2P)-6-(Me3Si)C6H3S}2{2-(Ph2PO)-6-(Me3Si)C6H3S}], and [NMe4][In{P...
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321820.cif $ #-------------------------------------------------------------------...
2,009,559
7.52
0.002
11.857
0.004
10.925
0.002
90
null
108.83
0.02
90
null
922
0.4
293
null
293
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
2,6-Difluorophenylxenon(II)-tetrafluoroborate
- C6 H3 B F6 Xe -
- C6 H3 B F6 Xe -
- C24 H12 B4 F24 Xe4 -
4
1
SE1035
Gilles, Theo; Gnann, Robert; Naumann, Dieter; Tebbe, Karl-Friedrich
2,6-Difluorphenylxenon(II)-tetrafluoroborat
Acta Crystallographica Section C
1,994
50
3
411
413
10.1107/S0108270193009898
0.71069
MoKα
0.0436
0.0369
null
0.0355
0.0351
null
null
null
3.7047
3.9635
3.9635
null
null
null
has coordinates
Gilles, Theo; Gnann, Robert; Naumann, Dieter; Tebbe, Karl-Friedrich 2,6-Difluorphenylxenon(II)-tetrafluoroborat Acta Crystallographica Section C 50(3) (1994) 411-413
255,773
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2020-09-01 08:45:55 +0300 (Tue, 01 Sep 2020) $ #$Revision: 255773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009559.cif $ #-------------------------------------------------------------------...
2,009,560
22.156
0.006
8.979
0.002
15.897
0.003
90
0.01
112.52
0.02
90
0.01
2,921.4
1.2
293
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
di-μ-iodocyclohexylphosphanido-bis-tetracarbonylrhenium
- C20 H22 I2 O8 P2 Re2 -
- C20 H22 I2 O8 P2 Re2 -
- C80 H88 I8 O32 P8 Re8 -
4
0.5
SE1036
Flörke, Ulrich; Haupt, Hans-Jürgen
Unexpected Re~2~P~2~ ring deformation in bis[μ-cyclohexyl(iodo)phosphido-κ<i>P</i>]bis(tetracarbonylrhenium), [Re~2~(C~6~H~11~IP)~2~(CO)~8~]
Acta Crystallographica Section C
1,994
50
3
378
380
10.1107/S0108270193009904
0.71073
MolybdenumKα
null
0.045
null
null
0.041
null
null
null
null
1.868
1.868
null
null
null
has coordinates
Flörke, Ulrich; Haupt, Hans-Jürgen Unexpected Re~2~P~2~ ring deformation in bis[μ-cyclohexyl(iodo)phosphido-κ<i>P</i>]bis(tetracarbonylrhenium), [Re~2~(C~6~H~11~IP)~2~(CO)~8~] Acta Crystallographica Section C 50(3) (1994) 378-380
208,362
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-14 06:45:12 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208362 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009560.cif $ #-------------------------------------------------------------------...
2,009,561
7.2198
0.0007
7.2198
0.0007
4.2329
0.0007
90
null
90
null
120
null
191.08
0.04
295
null
null
null
null
null
null
null
3
P -6 2 m
P -6 -2
null
- Al Ce Pd -
- Al Ce Pd -
- Al3 Ce3 Pd3 -
3
0.25
SH1059
Xue, B.; Schwer, H.; Hulliger, F.
Structure of CePdAl
Acta Crystallographica Section C
1,994
50
3
338
340
10.1107/S0108270193007632
0.71073
MoKα
null
0.042
null
null
0.113
null
null
null
null
1.857
1.857
null
null
null
has coordinates
Xue, B.; Schwer, H.; Hulliger, F. Structure of CePdAl Acta Crystallographica Section C 50(3) (1994) 338-340
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/2/00/95/2009561.cif $ #-------------------------------------------------------------------...
2,009,562
7.135
0.002
7.946
0.004
9.039
0.001
109.25
0.03
99.62
0.02
104.44
0.02
450.8
0.3
295
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C10 H12 Cd N10 O12 -
- C10 H12 Cd N10 O12 -
- C10 H12 Cd N10 O12 -
1
0.5
SH1062
Hänggi, G.; Schmalle, H.; Dubler, E.
Cd(alloxanthine)~2~(NO~3~)~2~(H~2~O)~2~
Acta Crystallographica Section C
1,994
50
3
388
391
10.1107/S0108270193008832
0.71073
MoKα
null
0.033
null
null
0.039
null
null
null
null
0.535
0.535
null
null
null
has coordinates
Hänggi, G.; Schmalle, H.; Dubler, E. Cd(alloxanthine)~2~(NO~3~)~2~(H~2~O)~2~ Acta Crystallographica Section C 50(3) (1994) 388-391
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009562.cif $ #-------------------------------------------------------------------...
2,009,563
9.225
0.002
10.141
0.003
20.198
0.004
98.65
0.01
98.34
0.01
101.7
0.01
1,798.9
0.8
295
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C19 H22 O4 S -
- C19 H22 O4 S -
- C76 H88 O16 S4 -
4
2
SH1064
Raabe, G.; Sawicki, M.; Frauenrath, H.
<i>trans</i>-2-Phenyltetrahydropyran-3-ylmethyl <i>p</i>-toluenesulfonate
Acta Crystallographica Section C
1,994
50
3
462
466
10.1107/S0108270193008406
0.71069
MoKα
null
0.053
null
null
0.056
null
null
null
null
2.738
2.738
null
null
null
has coordinates
Raabe, G.; Sawicki, M.; Frauenrath, H. <i>trans</i>-2-Phenyltetrahydropyran-3-ylmethyl <i>p</i>-toluenesulfonate Acta Crystallographica Section C 50(3) (1994) 462-466
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009563.cif $ #-------------------------------------------------------------------...
2,009,564
5.486
0.001
5.486
0.001
17.574
0.003
90
null
90
null
120
null
458.05
0.14
295
null
null
null
null
null
null
null
4
P 63/m m c
-P 6c 2c
null
- Co2 K2 O9 Se3 -
- Co2 K2 O9 Se4 -
- Co4 K4 O18 Se8 -
2
0.083333
SH1067
Wildner, M.
Structure of K~2~Co~2~(SeO~3~)~3~
Acta Crystallographica Section C
1,994
50
3
336
338
10.1107/S0108270193008479
0.71073
MoKα
null
0.038
null
null
0.034
null
null
null
null
4.12
4.12
null
null
null
has coordinates
Wildner, M. Structure of K~2~Co~2~(SeO~3~)~3~ Acta Crystallographica Section C 50(3) (1994) 336-338
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/2/00/95/2009564.cif $ #-------------------------------------------------------------------...
2,009,565
11.099
0.003
15.2
0.004
4.416
0.002
95.23
0.03
96.84
0.03
93.74
0.02
734.4
0.4
173
null
173
null
null
null
null
null
5
P -1
-P 1
2
6-(2-furfurylamino)-2-(2-furyl)-4-methylthio-5-nitropyrimidine
- C14 H12 N4 O4 S -
- C14 H12 N4 O4 S -
- C28 H24 N8 O8 S2 -
2
1
SH1074
Linden, Anthony; Heimgartner, Heinz; García Trimiño, Maria Isabel; Macías Cabrera, Arturo
5-Nitropyrimidines from 3,3-diamino(2-nitro)thioacrylamides. Structure of 6-(2-furfurylamino)-2-(2-furyl)-4-methylthio-5-nitropyrimidine
Acta Crystallographica Section C
1,994
50
3
421
424
10.1107/S0108270193008558
0.71069
MoKα
0.1009
0.0456
null
0.0486
0.0427
null
null
null
null
1.64
1.64
null
null
null
has coordinates
Linden, Anthony; Heimgartner, Heinz; García Trimiño, Maria Isabel; Macías Cabrera, Arturo 5-Nitropyrimidines from 3,3-diamino(2-nitro)thioacrylamides. Structure of 6-(2-furfurylamino)-2-(2-furyl)-4-methylthio-5-nitropyrimidine Acta Crystallographica Section C 50(3) (1994) 421-424
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009565.cif $ #-------------------------------------------------------------------...
2,009,566
8.8281
0.0011
8.8281
0.0011
9.104
0.002
90
null
90
null
120
null
614.47
0.17
108
null
null
null
null
null
null
null
4
R 3
R 3
null
- H13 Mg O9 P -
- H13 Mg O9 P -
- H39 Mg3 O27 P3 -
3
null
ST1056
Powell, D. R.; Smith, S. K.; Ross, F. K.; Farrar, T. C.
Neutron and X-ray diffraction study of magnesium phosphite hexahydrate, [Mg(H~2~O)~6~]^2+^[PHO~3~]^2{‒^}
Acta Crystallographica Section C
1,994
50
3
342
346
10.1107/S0108270193008169
1.54178
CuKα
null
0.0209
null
null
0.0255
null
null
null
null
1.23
1.23
null
null
null
has coordinates
Powell, D. R.; Smith, S. K.; Ross, F. K.; Farrar, T. C. Neutron and X-ray diffraction study of magnesium phosphite hexahydrate, [Mg(H~2~O)~6~]^2+^[PHO~3~]^2{‒^} Acta Crystallographica Section C 50(3) (1994) 342-346
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/2/00/95/2009566.cif $ #-------------------------------------------------------------------...
4,321,819
16.6579
0.0001
12.6628
0.0002
22.552
0.0003
90
null
96.42
0.01
90
null
4,727.19
0.14
298
2
298
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C54 H42 In P3 S3 -
- C54 H42 In P3 S3 -
- C216 H168 In4 P12 S12 -
4
1
Paulo Pérez-Lourido; Jaime Romero; José Arturo García-Vázquez; Antonio Sousa; Kevin Maresca; Jon Zubieta
Synthesis and Characterization of Indium Compounds with Phosphinothiol Ligands. The Crystal and Molecular Structures of [In{2-(Ph2P)C6H4S}3], [In{2-(Ph2P)-6-(Me3Si)C6H3S}2{2-(Ph2PO)-6-(Me3Si)C6H3S}], and [NMe4][In{PhP(C6H4S-2)2}2].CH3CN
Inorganic Chemistry
1,999
38
1293
1298
10.1021/ic980282s
0.71073
MoKα
null
0.0579
null
0.1522
0.1392
null
null
null
1.03
1.107
1.107
null
null
null
has coordinates
Paulo Pérez-Lourido; Jaime Romero; José Arturo García-Vázquez; Antonio Sousa; Kevin Maresca; Jon Zubieta Synthesis and Characterization of Indium Compounds with Phosphinothiol Ligands. The Crystal and Molecular Structures of [In{2-(Ph2P)C6H4S}3], [In{2-(Ph2P)-6-(Me3Si)C6H3S}2{2-(Ph2PO)-6-(Me3Si)C6H3S}], and [NMe4][In{P...
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321819.cif $ #-------------------------------------------------------------------...
2,009,567
8.868
0.002
8.868
0.002
9.15
0.002
90
null
90
null
120
null
623.2
0.2
293
null
null
null
null
null
null
null
4
R 3
R 3
null
- H13 Mg O9 P -
- H13 Mg O9 P -
- H39 Mg3 O27 P3 -
3
null
ST1056
Powell, D. R.; Smith, S. K.; Ross, F. K.; Farrar, T. C.
Neutron and X-ray diffraction study of magnesium phosphite hexahydrate, [Mg(H~2~O)~6~]^2+^[PHO~3~]^2{‒^}
Acta Crystallographica Section C
1,994
50
3
342
346
10.1107/S0108270193008169
neutron
1.063
Neutron(Cu[220])
null
0.041
null
null
0.023
null
null
null
null
2.77
2.77
null
null
null
has coordinates
Powell, D. R.; Smith, S. K.; Ross, F. K.; Farrar, T. C. Neutron and X-ray diffraction study of magnesium phosphite hexahydrate, [Mg(H~2~O)~6~]^2+^[PHO~3~]^2{‒^} Acta Crystallographica Section C 50(3) (1994) 342-346
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/2/00/95/2009567.cif $ #-------------------------------------------------------------------...
2,009,568
14.053
0.003
10.781
0.005
21.406
0.005
90
null
102.84
0.02
90
null
3,162
1.8
294
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C36 H44 Fe N3 O4 -
- C38 H39 Fe N3 O4 -
- C152 H156 Fe4 N12 O16 -
4
1
ST1080
Vencato, Ivo; Neves, Ademir; Vincent, Beverly R.; Erasmus-Buhr, Claudia; Haase, Wolfgang
Synthesis and structure of the new complex Et~3~NH[Fe(tben)]
Acta Crystallographica Section C
1,994
50
3
386
388
10.1107/S0108270193009758
0.71069
MoKα
null
0.047
null
null
0.058
null
null
null
null
1.31
1.31
null
null
null
has coordinates
Vencato, Ivo; Neves, Ademir; Vincent, Beverly R.; Erasmus-Buhr, Claudia; Haase, Wolfgang Synthesis and structure of the new complex Et~3~NH[Fe(tben)] Acta Crystallographica Section C 50(3) (1994) 386-388
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009568.cif $ #-------------------------------------------------------------------...
2,009,569
12.363
0.015
13.134
0.014
13.584
0.012
65.57
0.07
64.92
0.08
65.18
0.08
1,737
4
293
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C39 H28 Cu2 N9 O2 S -
- C39 H28 Cu2 N9 O2 S -
- C78 H56 Cu4 N18 O4 S2 -
2
1
VS1008
Potočňák, I.; Dunaj-Jurčo, M.; Kabešová, M.; Mikloš, D.; Kettmann, V.
Bis(1,10-phenanthroline)copper(II)-μ-cyano-cyano(1,10-phenanthroline)copper(I) thiocyanate dihydrate
Acta Crystallographica Section C
1,994
50
3
380
383
10.1107/S0108270193008327
0.71069
MoKα
null
0.046
null
null
0.052
null
null
null
null
0.46
0.46
null
null
null
has coordinates
Potočňák, I.; Dunaj-Jurčo, M.; Kabešová, M.; Mikloš, D.; Kettmann, V. Bis(1,10-phenanthroline)copper(II)-μ-cyano-cyano(1,10-phenanthroline)copper(I) thiocyanate dihydrate Acta Crystallographica Section C 50(3) (1994) 380-383
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/95/2009569.cif $ #-------------------------------------------------------------------...
2,009,570
9.997
0.002
10.347
0.002
12.68
0.001
90
null
90
null
90
null
1,311.6
0.4
105
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C10 H22 N2 O5 -
- C10 H22 N2 O5 -
- C40 H88 N8 O20 -
4
1
AB0303
Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.
Structures of the choline ion in different crystal surroundings
Acta Crystallographica Section C
1,994
50
4
617
623
10.1107/S0108270193007589
0.71073
MoKα
null
0.041
null
null
0.043
null
null
null
null
0.696
0.696
null
null
null
has coordinates
Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M. Structures of the choline ion in different crystal surroundings Acta Crystallographica Section C 50(4) (1994) 617-623
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009570.cif $ #-------------------------------------------------------------------...
4,321,818
10.431
0.0002
11.4723
0.0002
11.7779
0.0002
112.263
0.001
99.093
0.001
102.318
0.001
1,229.06
0.04
296
null
296
null
null
null
null
null
6
P -1
-P 1
2
[In4(4,4'-bipy)3(HPO4)4(H2PO4)4]
- C30 H36 In4 N6 O32 P8 -
- C30 In4 N6 O32 P8 -
- C30 In4 N6 O32 P8 -
1
0.5
Kwang-Hwa Lii; Yuh-Feng Huang
Synthesis and Structures of [In4(4,4'-bipy)3(HPO4)4(H2PO4)4].4H2O and In4(4,4'-bipy)3(HPO4)4(H2PO4)4, Indium Phosphates with a Pillared Layer Structure
Inorganic Chemistry
1,999
38
1348
1350
10.1021/ic9715106
0.71073
MoKα
0.1087
0.0702
null
0.1864
0.1661
null
null
null
1.007
1.119
1.119
null
null
null
has coordinates
Kwang-Hwa Lii; Yuh-Feng Huang Synthesis and Structures of [In4(4,4'-bipy)3(HPO4)4(H2PO4)4].4H2O and In4(4,4'-bipy)3(HPO4)4(H2PO4)4, Indium Phosphates with a Pillared Layer Structure Inorganic Chemistry 38 (1999) 1348-1350
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321818.cif $ #-------------------------------------------------------------------...
2,009,571
6.228
0.001
6.819
0.001
7.494
0.001
95.42
0.02
99.48
0.01
108.99
0.01
293.07
0.08
122
null
null
null
null
null
null
null
4
P 1
P 1
1
- C9 H19 N O7 -
- C9 H19 N O7 -
- C9 H19 N O7 -
1
1
AB0303
Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.
Structures of the choline ion in different crystal surroundings
Acta Crystallographica Section C
1,994
50
4
617
623
10.1107/S0108270193007589
0.71073
MoKα
null
0.053
null
null
0.074
null
null
null
null
1.797
1.797
null
null
null
has coordinates
Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M. Structures of the choline ion in different crystal surroundings Acta Crystallographica Section C 50(4) (1994) 617-623
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009571.cif $ #-------------------------------------------------------------------...
2,009,572
21.438
0.003
8.161
0.001
21.655
0.006
90
null
109.98
0.02
90
null
3,560.6
1.3
295
null
null
null
null
null
null
null
4
I 1 2/a 1
-I 2ya
15
- C16 H26 N2 O4 -
- C16 H26 N2 O4 -
- C128 H208 N16 O32 -
8
1
AB0303
Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.
Structures of the choline ion in different crystal surroundings
Acta Crystallographica Section C
1,994
50
4
617
623
10.1107/S0108270193007589
0.71073
MoKα
null
0.041
null
null
0.061
null
null
null
null
1.331
1.331
null
null
null
has coordinates
Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M. Structures of the choline ion in different crystal surroundings Acta Crystallographica Section C 50(4) (1994) 617-623
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009572.cif $ #-------------------------------------------------------------------...
2,009,573
7.951
0.002
10.6133
0.0009
23.421
0.004
90
null
90
null
90
null
1,976.4
0.6
105
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C18 H32 N2 O6 -
- C18 H32 N2 O6 -
- C72 H128 N8 O24 -
4
1
AB0303
Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.
Structures of the choline ion in different crystal surroundings
Acta Crystallographica Section C
1,994
50
4
617
623
10.1107/S0108270193007589
0.71073
MoKα
null
0.031
null
null
0.039
null
null
null
null
0.96
0.96
null
null
null
has coordinates
Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M. Structures of the choline ion in different crystal surroundings Acta Crystallographica Section C 50(4) (1994) 617-623
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009573.cif $ #-------------------------------------------------------------------...
2,009,574
20.182
0.006
9.062
0.003
24.028
0.006
90
null
90.79
0.02
90
null
4,394
2
294
null
null
null
null
null
null
null
7
P 1 21/c 1
-P 2ybc
null
- C37 H26 Au Co3 O11 P2 Ru -
- C37 H26 Au Cl6 Co3 O11 P2 Ru -
- C148 H104 Au4 Cl24 Co12 O44 P8 Ru4 -
4
1
AB1078
Kakkonen, H. J.; Ahlgrèn, M.; Pakkanen, T. A.; Pursiainen, J.
[AuCo~3~Ru(C~8~H~11~P)(C~18~H~15~P)(CO)~11~].1/2CH~2~Cl~2~
Acta Crystallographica Section C
1,994
50
4
528
530
10.1107/S0108270193009710
0.71073
MoKα
null
0.05
null
null
0.058
null
null
null
null
1.51
1.51
null
null
null
has coordinates
Kakkonen, H. J.; Ahlgrèn, M.; Pakkanen, T. A.; Pursiainen, J. [AuCo~3~Ru(C~8~H~11~P)(C~18~H~15~P)(CO)~11~].1/2CH~2~Cl~2~ Acta Crystallographica Section C 50(4) (1994) 528-530
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/2/00/95/2009574.cif $ #-------------------------------------------------------------------...
2,009,575
10.521
0.001
18.425
0.003
18.449
0.002
90
null
90
null
90
null
3,576.3
0.8
295
null
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
null
- C14 H16 Cl2 N8 Zn -
- C14 H16 Cl2 N8 Zn -
- C112 H128 Cl16 N64 Zn8 -
8
1
AB1080
Salas, J.M.; Romero, M.A.; Rahmani, A.; Faure, R.
Dichlorobis(5,7-dimethyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>^3^)zinc(II)
Acta Crystallographica Section C
1,994
50
4
510
512
10.1107/S0108270193009448
0.7107
MoKα
null
0.026
null
null
0.027
null
null
null
null
1.5
1.5
null
null
null
has coordinates
Salas, J.M.; Romero, M.A.; Rahmani, A.; Faure, R. Dichlorobis(5,7-dimethyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>^3^)zinc(II) Acta Crystallographica Section C 50(4) (1994) 510-512
191,053
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-28 17:18:50 +0200 (Sat, 28 Jan 2017) $ #$Revision: 191053 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009575.cif $ #-------------------------------------------------------------------...
4,321,817
10.5429
0.0004
11.6345
0.0005
11.7303
0.0005
110.116
0.001
100.445
0.001
104.339
0.001
1,251.58
0.09
296
null
296
null
null
null
null
null
6
P -1
-P 1
2
[In4(4,4'-bipy)3(HPO4)4(H2PO4)4].4H2O
- C30 H44 In4 N6 O36 P8 -
- C30 In4 N6 O36 P8 -
- C30 In4 N6 O36 P8 -
1
0.5
Kwang-Hwa Lii; Yuh-Feng Huang
Synthesis and Structures of [In4(4,4'-bipy)3(HPO4)4(H2PO4)4].4H2O and In4(4,4'-bipy)3(HPO4)4(H2PO4)4, Indium Phosphates with a Pillared Layer Structure
Inorganic Chemistry
1,999
38
1348
1350
10.1021/ic9715106
0.71073
MoKα
0.0867
0.0517
null
0.1163
0.1034
null
null
null
1.048
1.119
1.119
null
null
null
has coordinates
Kwang-Hwa Lii; Yuh-Feng Huang Synthesis and Structures of [In4(4,4'-bipy)3(HPO4)4(H2PO4)4].4H2O and In4(4,4'-bipy)3(HPO4)4(H2PO4)4, Indium Phosphates with a Pillared Layer Structure Inorganic Chemistry 38 (1999) 1348-1350
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321817.cif $ #-------------------------------------------------------------------...
2,009,576
8.526
0.003
10.856
0.004
14.448
0.004
90
null
106.48
0.05
90
null
1,282.3
0.8
293
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C14 H15 O P -
- C14 H15 O P -
- C56 H60 O4 P4 -
4
1
AB1090
Orama, O.; Koskinen, J.T.
Ethyldiphenylphosphine oxide, (C~6~H~5~)~2~(C~2~H~5~)PO
Acta Crystallographica Section C
1,994
50
4
608
609
10.1107/S0108270193009722
0.71069
MoKα
null
0.039
null
null
0.043
null
null
null
null
1.61
1.61
null
null
null
has coordinates
Orama, O.; Koskinen, J.T. Ethyldiphenylphosphine oxide, (C~6~H~5~)~2~(C~2~H~5~)PO Acta Crystallographica Section C 50(4) (1994) 608-609
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009576.cif $ #-------------------------------------------------------------------...
2,009,577
9.794
0.002
9.614
0.002
13.105
0.002
90
null
107.74
0.02
90
null
1,175.3
0.4
295
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C8 H32 B20 Si2 -
- C8 H32 B20 Si2 -
- C16 H64 B40 Si4 -
2
0.5
AB1091
Kivekäs, R.; Romerosa, A.; Viñas, C.
1,1';2,2'-Bis-μ-dimethylsilyl-bis[1,2-dicarba-<i>closo</i>-dodecaborane(12)], C~8~H~32~B~20~Si~2~
Acta Crystallographica Section C
1,994
50
4
638
640
10.1107/S0108270193009734
0.71069
MoKα
null
0.062
null
null
0.053
null
null
null
null
2.64
2.64
null
null
null
has coordinates
Kivekäs, R.; Romerosa, A.; Viñas, C. 1,1';2,2'-Bis-μ-dimethylsilyl-bis[1,2-dicarba-<i>closo</i>-dodecaborane(12)], C~8~H~32~B~20~Si~2~ Acta Crystallographica Section C 50(4) (1994) 638-640
198,487
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-07-05 21:05:25 +0300 (Wed, 05 Jul 2017) $ #$Revision: 198487 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009577.cif $ #-------------------------------------------------------------------...
2,009,578
6.5051
0.0011
6.8828
0.0018
16.681
0.003
86.036
0.016
79.892
0.018
75.458
0.018
711.5
0.3
293
null
293
null
null
null
null
null
5
P -1
-P 1
2
tricarbonyl(η^6^-phenyltrimethylsilane)molybdenum
tricarbonyl(η^6^-phenyltrimethylsilane)molybdenum
- C12 H14 Mo O3 Si -
- C12 H14 Mo O3 Si -
- C24 H28 Mo2 O6 Si2 -
2
1
AB1152
Alyea, Elmer C.; Ferguson, George; Jain, Vimal K.
Tricarbonyl(η^6^-trimethylphenylsilane)molybdenum
Acta Crystallographica Section C
1,994
50
4
491
493
10.1107/S0108270194000831
0.71067
MoKα
0.061
0.053
null
0.076
0.075
null
null
null
null
1.92
1.92
null
null
null
has coordinates
Alyea, Elmer C.; Ferguson, George; Jain, Vimal K. Tricarbonyl(η^6^-trimethylphenylsilane)molybdenum Acta Crystallographica Section C 50(4) (1994) 491-493
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/2/00/95/2009578.cif $ #-------------------------------------------------------------------...
2,009,579
14.556
0.002
11.759
0.002
9.473
0.002
90
null
104.1
0.2
90
null
1,572.6
1.5
298
null
298
null
null
null
null
null
4
P 1 21 1
P 2yb
4
(Z)-Aib-Gly-L-Ile-L-Leu-OMe_monohydrate
N^α^-benzyloxycarbonyl-α-aminoisobutyryl-glycyl-L-isoleucyl- L-leucine methyl ester monohydrate
- C27 H44 N4 O8 -
- C27 H44 N4 O8 -
- C54 H88 N8 O16 -
2
1
AD1000
Crisma, Marco; Valle, Giovanni; Monaco, Vania; Formaggio, Fernando; Toniolo, Claudio
<i>N</i>^{α^}-Benzyloxycarbonyl-α-aminoisobutyrylglycyl-<small>L</small>-isoleucyl-<small>L</small>-leucine methyl ester monohydrate
Acta Crystallographica Section C
1,994
50
4
563
565
10.1107/S0108270193010595
0.7107
MoKα
null
0.045
null
null
0.049
null
null
null
null
0.892
0.892
null
null
null
has coordinates
Crisma, Marco; Valle, Giovanni; Monaco, Vania; Formaggio, Fernando; Toniolo, Claudio <i>N</i>^{α^}-Benzyloxycarbonyl-α-aminoisobutyrylglycyl-<small>L</small>-isoleucyl-<small>L</small>-leucine methyl ester monohydrate Acta Crystallographica Section C 50(4) (1994) 563-565
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009579.cif $ #-------------------------------------------------------------------...
4,321,816
9.435
0.007
17.917
0.011
15.449
0.01
90
null
106.77
0.06
90
null
2,501
3
293
2
293
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C23 H24 Cl3 La N4 Ni O3 -
- C23 H24 Cl3 La N4 Ni O3 -
- C92 H96 Cl12 La4 N16 Ni4 O12 -
4
1
Jerzy Lisowski; Przemysław Starynowicz
Heterodinuclear Macrocyclic Complexes Containing Both Nickel(II) and Lanthanide(III) Ions
Inorganic Chemistry
1,999
38
1351
1355
10.1021/ic971416p
0.71073
MoKα
0.0422
0.0299
null
0.0645
0.0627
null
null
null
2.574
2.749
2.749
null
null
null
has coordinates,has disorder
Jerzy Lisowski; Przemysław Starynowicz Heterodinuclear Macrocyclic Complexes Containing Both Nickel(II) and Lanthanide(III) Ions Inorganic Chemistry 38 (1999) 1351-1355
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321816.cif $ #-------------------------------------------------------------------...
2,009,580
12.341
0.002
19.58
0.002
11.464
0.003
90
null
113.5
0.02
90
null
2,540.4
0.9
298
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
null
- C54 H50 Au2 Cl2 N2 P4 -
- C54 H50 Au2 Cl2 N2 P4 -
- C108 H100 Au4 Cl4 N4 P8 -
2
0.5
AL1054
Liou, L.-S.; Liu, C.-P.; Wang, J.-C.
The monoclinic phase [Au~2~(C~25~H~22~P~2~)~2~]Cl~2~.2CH~3~CN
Acta Crystallographica Section C
1,994
50
4
538
540
10.1107/S0108270193009308
0.71073
MoKα
null
0.0362
null
null
0.0433
null
null
null
null
0.61
0.61
null
null
null
has coordinates
Liou, L.-S.; Liu, C.-P.; Wang, J.-C. The monoclinic phase [Au~2~(C~25~H~22~P~2~)~2~]Cl~2~.2CH~3~CN Acta Crystallographica Section C 50(4) (1994) 538-540
301,791
2025-08-18
23:15:34
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2,009,581
13.608
0.008
8.998
0.006
15.334
0.008
90
null
118.61
0.04
90
null
1,648.3
1.8
296
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C10 H10 N2 S6 Zn -
- C10 H10 N2 S6 Zn -
- C40 H40 N8 S24 Zn4 -
4
0.5
AL1062
Li, Hongjun; Du, Shaowu; Wu, Xintao
(Hexasulfanediyl)di(pyridine-<i>N</i>)zinc
Acta Crystallographica Section C
1,994
50
4
498
500
10.1107/S0108270193010868
0.71069
MoKα
null
0.05
null
null
0.059
null
null
null
null
1.57
1.57
null
null
null
has coordinates
Li, Hongjun; Du, Shaowu; Wu, Xintao (Hexasulfanediyl)di(pyridine-<i>N</i>)zinc Acta Crystallographica Section C 50(4) (1994) 498-500
176,435
2020-10-21
18:00:00
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2,009,582
13.844
0.004
25.734
0.01
9.59
0.002
90
null
107.58
0.02
90
null
3,257
1.8
293
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
null
- C36 H42 N2 O4 Yb -
- C36 H42 N2 O4 Yb -
- C144 H168 N8 O16 Yb4 -
4
1
AL1064
Abrahams, C.T.; Deacon, G.B.; Gatehouse, B.M.; Ward, G.N.
<i>cis</i>-Bis(9-carbazolyl)(1,2-dimethoxyethane)-<i>cis</i>-bis(tetrahydrofuran)ytterbium(II)
Acta Crystallographica Section C
1,994
50
4
504
507
10.1107/S010827019300931X
0.7107
MoKᾱ
null
0.0775
null
null
0.0626
null
null
null
null
2.48
2.48
null
null
null
has coordinates
Abrahams, C.T.; Deacon, G.B.; Gatehouse, B.M.; Ward, G.N. <i>cis</i>-Bis(9-carbazolyl)(1,2-dimethoxyethane)-<i>cis</i>-bis(tetrahydrofuran)ytterbium(II) Acta Crystallographica Section C 50(4) (1994) 504-507
301,791
2025-08-18
23:15:34
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2,009,583
14.599
0.001
14.919
0.004
18.756
0.003
90
null
90
null
90
null
4,085.1
1.3
298
3
null
null
null
null
null
null
6
P c a b
-P 2bc 2ac
61
- C11 H29 Cl2 Cu N5 O8 -
- C11 H29 Cl2 Cu N5 O8 -
- C88 H232 Cl16 Cu8 N40 O64 -
8
1
AS1059
Tahirov, T.H.; Lu, T.-H.; Liu, Y.-L.; Chung, C.-S.
[(2<i>RS</i>,5<i>SR</i>,8<i>SR</i>,12<i>SR</i>,15<i>SR</i>)-2,5,8,12,15-Pentaazahexadecane-κ^5^<i>N</i>^2,5,8,12,15^]copper(II) diperchlorate
Acta Crystallographica Section C
1,994
50
4
514
516
10.1107/S0108270193009783
0.7107
MoKα
null
0.062
null
null
0.058
null
null
null
null
0.95
0.95
null
null
null
has coordinates,has disorder
Tahirov, T.H.; Lu, T.-H.; Liu, Y.-L.; Chung, C.-S. [(2<i>RS</i>,5<i>SR</i>,8<i>SR</i>,12<i>SR</i>,15<i>SR</i>)-2,5,8,12,15-Pentaazahexadecane-κ^5^<i>N</i>^2,5,8,12,15^]copper(II) diperchlorate Acta Crystallographica Section C 50(4) (1994) 514-516
301,791
2025-08-18
23:15:34
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2,009,584
8.491
0.004
14.679
0.004
16.827
0.003
90
null
90
null
90
null
2,097.3
1.2
298
3
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
null
- C12 H30 Cl2 N4 Ni O8 -
- C12 H30 Cl2 N4 Ni O8 -
- C48 H120 Cl8 N16 Ni4 O32 -
4
1
AS1060
Tahirov, T.H.; Lu, T.-H.; Shu, K.; Chung, C.-S.
[(4<i>RS</i>,7<i>SR</i>,11<i>RS</i>)-4,12-Dimethyl-4,7,11-triazatridecylamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) diperchlorate
Acta Crystallographica Section C
1,994
50
4
516
518
10.1107/S0108270193009795
0.71073
MoKα
null
0.055
null
null
0.054
null
null
null
null
0.59
0.59
null
null
null
has coordinates
Tahirov, T.H.; Lu, T.-H.; Shu, K.; Chung, C.-S. [(4<i>RS</i>,7<i>SR</i>,11<i>RS</i>)-4,12-Dimethyl-4,7,11-triazatridecylamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) diperchlorate Acta Crystallographica Section C 50(4) (1994) 516-518
176,435
2020-10-21
18:00:00
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2,009,585
13.297
0.001
13.804
0.001
10.136
0.001
90
null
91.05
0.01
90
null
1,860.2
0.3
298
3
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C10 H26 Cl2 Cu N4 O8 -
- C10 H26 Cl2 Cu N4 O13 -
- C40 H104 Cl8 Cu4 N16 O52 -
4
1
AS1066
Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S.
(5,5-Dimethyl-4,7-diazadecane-1,10-diamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')(perchlorato-<i>O</i>)copper(II) perchlorate
Acta Crystallographica Section C
1,994
50
4
512
514
10.1107/S010827019300959X
0.7107
MoKα
null
0.039
null
null
0.039
null
null
null
null
0.54
0.54
null
null
null
has coordinates
Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S. (5,5-Dimethyl-4,7-diazadecane-1,10-diamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')(perchlorato-<i>O</i>)copper(II) perchlorate Acta Crystallographica Section C 50(4) (1994) 512-514
176,759
2020-10-21
18:00:00
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2,009,586
8.743
0.002
9.656
0.001
12.088
0.003
89.66
0.02
77.03
0.02
73.28
0.01
950.5
0.4
298
3
null
null
null
null
null
null
6
P -1
-P 1
2
- C12 H28 Cl2 Cu N4 O8 -
- C12 H28 Cl2 Cu N4 O8 -
- C24 H56 Cl4 Cu2 N8 O16 -
2
1
AS1069
Tahirov, T.H.; Lu, T.-H.; Shu, K.; Chung, C.-S.
[<i>N</i>,<i>N</i>'-Bis(3-aminopropyl)-<i>trans</i>-1,2-cyclohexanediamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']di(perchlorato-<i>O</i>)copper(II)
Acta Crystallographica Section C
1,994
50
4
518
520
10.1107/S0108270193010005
0.7093
MoKα
null
0.032
null
null
0.032
null
null
null
null
0.53
0.53
null
null
null
has coordinates
Tahirov, T.H.; Lu, T.-H.; Shu, K.; Chung, C.-S. [<i>N</i>,<i>N</i>'-Bis(3-aminopropyl)-<i>trans</i>-1,2-cyclohexanediamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']di(perchlorato-<i>O</i>)copper(II) Acta Crystallographica Section C 50(4) (1994) 518-520
301,791
2025-08-18
23:15:34
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4,321,815
11.604
0.007
11.366
0.007
15.736
0.004
90
null
92.84
0.03
90
null
2,072.9
1.9
23
null
23
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C24 H32 Cd4 N8 O8 S8 -
- C23 H32 Cd3 N8 O8 S8 -
- C46 H64 Cd6 N16 O16 S16 -
2
0.5
Hong Zhang; Ximin Wang; H. Zhu; W. Xiao; Kecong Zhang; Boon K. Teo
Anisotropic Templating Effect in the Formation of Two-Dimensional Anionic Cadmium-Thiocyanate Coordination Solids [(12C4)2Cd][Cd2(SCN)6] and [(12C4)2Cd][Cd3(SCN)8] with Checkerboard and Herringbone Patterns, Respectively
Inorganic Chemistry
1,999
38
886
892
10.1021/ic980387v
0.7107
MoKα
null
0.03
null
null
0.031
null
null
null
null
1.19
1.19
null
null
null
has coordinates
Hong Zhang; Ximin Wang; H. Zhu; W. Xiao; Kecong Zhang; Boon K. Teo Anisotropic Templating Effect in the Formation of Two-Dimensional Anionic Cadmium-Thiocyanate Coordination Solids [(12C4)2Cd][Cd2(SCN)6] and [(12C4)2Cd][Cd3(SCN)8] with Checkerboard and Herringbone Patterns, Respectively Inorganic Chemistry 38 (1999) 88...
176,467
2020-10-21
18:00:00
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2,009,587
6.79
0.001
17.238
0.001
12.464
0.001
90
null
91.14
0.01
90
null
1,458.6
0.3
298
null
298
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C14 H8 Cd N6 Ni -
- C14 H8 Cd0.5 N6 Ni0.5 -
- C56 H32 Cd2 N24 Ni2 -
4
0.5
AS1078
Hashimoto, Masato; Iwamoto, Toschitake
Cd(2,2'-bipyridine-<i>N</i>,<i>N</i>')Ni(CN)~4~, a highly bent close two-dimensional network of [Cd-{(NC)Ni~1/4~}~4~]~<i>n~</i>
Acta Crystallographica Section C
1,994
50
4
496
498
10.1107/S0108270193011126
0.71069
MoKα
null
0.036
null
null
0.041
null
null
null
null
1.42
1.42
null
null
null
has coordinates
Hashimoto, Masato; Iwamoto, Toschitake Cd(2,2'-bipyridine-<i>N</i>,<i>N</i>')Ni(CN)~4~, a highly bent close two-dimensional network of [Cd-{(NC)Ni~1/4~}~4~]~<i>n~</i> Acta Crystallographica Section C 50(4) (1994) 496-498
176,759
2020-10-21
18:00:00
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2,009,588
8.287
0.001
15.228
0.002
7.679
0.001
104.8
0.02
109.75
0.02
93.23
0.02
870.9
0.3
296
null
null
null
null
null
null
null
3
P -1
-P 1
2
endo-(1R^*^,9R^*^,10R^*^)-9,10-Dimethoxy-12,15,15- trimethyltricyclo[9.3.1.0^3,8^]pentadeca-3(8),11-diene-4,13-dione
- C20 H28 O4 -
- C20 H28 O4 -
- C40 H56 O8 -
2
1
AS1082
Takenaka, Yasuyuki; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Furukawa, Takashi; Horiguchi, Yoshiaki; Kuwajima, Isao
<i>endo</i>-(1<i>R</i>*,9<i>R</i>*,10<i>R</i>*)-9,10-Dimethoxy-12,15,15-trimethyltricyclo[9.3.1.0^3,8^]pentadeca-3(8),11-diene-4,13-dione
Acta Crystallographica Section C
1,994
50
4
556
558
10.1107/S0108270193010637
0.7107
MoKα
null
0.058
null
null
0.046
null
null
null
null
5.15
5.15
null
null
null
has coordinates
Takenaka, Yasuyuki; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Furukawa, Takashi; Horiguchi, Yoshiaki; Kuwajima, Isao <i>endo</i>-(1<i>R</i>*,9<i>R</i>*,10<i>R</i>*)-9,10-Dimethoxy-12,15,15-trimethyltricyclo[9.3.1.0^3,8^]pentadeca-3(8),11-diene-4,13-dione Acta Crystallographica Section C 50(4) (1994) 556-558
301,791
2025-08-18
23:15:34
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2,009,589
5.52
0.001
8.391
0.002
13.083
0.003
90
null
90.9
0.02
90
null
605.9
0.2
297
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- As2 Co O7 Sr -
- As2 Co O7 Sr -
- As8 Co4 O28 Sr4 -
4
1
BR1042
Horng, J.-C.; Wang, S.-L.
Strontium cobalt(II) diarsenate
Acta Crystallographica Section C
1,994
50
4
488
490
10.1107/S0108270193009680
0.71073
MoKα
null
0.0268
null
null
0.0284
null
null
null
null
0.92
0.92
null
null
null
has coordinates
Horng, J.-C.; Wang, S.-L. Strontium cobalt(II) diarsenate Acta Crystallographica Section C 50(4) (1994) 488-490
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/2/00/95/2009589.cif $ #-------------------------------------------------------------------...
2,009,590
25.3136
0.0015
6.0161
0.0007
11.3754
0.0012
90
null
90
null
90
null
1,732.3
0.3
298
null
null
null
null
null
null
null
4
P b c n
-P 2n 2ab
null
- C6 H12 N2 Pt -
- C6 H6 N2 Pt -
- C48 H48 N16 Pt8 -
8
1
BR1043
Dryden, N. H.; Puddephatt, R. J.; Roy, S.; Vittal, J. J.
Two forms of <i>cis</i>-dimethylbis(methyl isocyanide)platinum(II)
Acta Crystallographica Section C
1,994
50
4
533
536
10.1107/S010827019301025X
1.54184
CuKα
null
0.0239
null
null
0.025
null
null
null
null
null
null
null
null
null
has coordinates
Dryden, N. H.; Puddephatt, R. J.; Roy, S.; Vittal, J. J. Two forms of <i>cis</i>-dimethylbis(methyl isocyanide)platinum(II) Acta Crystallographica Section C 50(4) (1994) 533-536
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/2/00/95/2009590.cif $ #-------------------------------------------------------------------...
4,321,814
11.889
0.004
33.38
0.008
9.012
0.003
90
null
90
null
90
null
3,576.5
1.9
297
null
297
null
null
null
null
null
synthesis
4
C m c 21
C 2c -2
36
N,N,N',N'-tetramethylethylenediamine/copper(I) cyanide complex
- C8 H16 Cu2 N4 -
- C8 H16 Cu2 N4 -
- C96 H192 Cu24 N48 -
12
1.5
Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton
Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines
Inorganic Chemistry
1,999
38
984
991
10.1021/ic970226b
0.71073
MoKalpha
null
0.068
null
null
0.057
null
null
null
null
1.4
1.4
null
null
null
has coordinates
Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines Inorganic Chemistry 38 (1999) 984-991
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321814.cif $ #-------------------------------------------------------------------...
2,009,591
26.584
0.002
6.062
0.001
11.318
0.001
90
null
108.038
0.007
90
null
1,734.3
0.4
298
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C6 H12 N2 Pt -
- C6 H6 N2 Pt -
- C48 H48 N16 Pt8 -
8
1
BR1043
Dryden, N. H.; Puddephatt, R. J.; Roy, S.; Vittal, J. J.
Two forms of <i>cis</i>-dimethylbis(methyl isocyanide)platinum(II)
Acta Crystallographica Section C
1,994
50
4
533
536
10.1107/S010827019301025X
0.71073
MoKα
null
0.0703
null
null
0.0715
null
null
null
null
null
null
null
null
null
has coordinates
Dryden, N. H.; Puddephatt, R. J.; Roy, S.; Vittal, J. J. Two forms of <i>cis</i>-dimethylbis(methyl isocyanide)platinum(II) Acta Crystallographica Section C 50(4) (1994) 533-536
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/2/00/95/2009591.cif $ #-------------------------------------------------------------------...
2,009,592
4.965
0.001
18.692
0.004
9.15
0.001
90
null
96.1
0.02
90
null
844.4
0.3
150
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C10 H22 Cu N6 O7 -
- C10 H22 Cu N6 O7 -
- C20 H44 Cu2 N12 O14 -
2
1
BR1046
Parvez, M.; Birdsall, W. J.
Diamminebis[5-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)dionato(1‒)-<i>N</i>^3^]copper(II) trihydrate
Acta Crystallographica Section C
1,994
50
4
540
542
10.1107/S0108270193009886
0.71069
MoKα
null
0.049
null
null
0.051
null
null
null
null
2.28
2.28
null
null
null
has coordinates
Parvez, M.; Birdsall, W. J. Diamminebis[5-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)dionato(1‒)-<i>N</i>^3^]copper(II) trihydrate Acta Crystallographica Section C 50(4) (1994) 540-542
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/95/2009592.cif $ #-------------------------------------------------------------------...
2,009,593
8.0269
0.0003
8.0269
0.0003
8.0269
0.0003
90
null
90
null
90
null
517.18
0.03
298
2
298
null
null
null
null
null
5
P -4 3 n
P -4n 2 3
218
lithuim chloro beryllophosphate sodalite
Tetralithium chloro tecto-trikis(beryllatophosphate)
- Be3 Cl Li4 O12 P3 -
- Be3 Cl Li4 O12 P3 -
- Be6 Cl2 Li8 O24 P6 -
2
0.083333
BR1052
Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.
Two lithium chloroberyllo(phosphate/arsenate) sodalites: Li~4~Cl(BePO~4~)~3~ and Li~4~Cl(BeAsO~4~)~3~
Acta Crystallographica Section C
1,994
50
4
471
473
10.1107/S0108270193009692
null
CopperKα
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D. Two lithium chloroberyllo(phosphate/arsenate) sodalites: Li~4~Cl(BePO~4~)~3~ and Li~4~Cl(BeAsO~4~)~3~ Acta Crystallographica Section C 50(4) (1994) 471-473
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/2/00/95/2009593.cif $ #-------------------------------------------------------------------...
2,009,594
8.23685
0.00008
8.23685
0.00008
8.23685
0.00008
90
null
90
null
90
null
558.835
0.009
298
2
298
null
null
null
null
null
5
P -4 3 n
P -4n 2 3
218
lithuim chloro berylloarsenate sodalite
Tetralithium chloro tecto-trikis(beryllatoarsenate)
- As3 Be3 Cl Li4 O12 -
- As3 Be3 Cl Li4 O12 -
- As6 Be6 Cl2 Li8 O24 -
2
0.083333
BR1052
Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.
Two lithium chloroberyllo(phosphate/arsenate) sodalites: Li~4~Cl(BePO~4~)~3~ and Li~4~Cl(BeAsO~4~)~3~
Acta Crystallographica Section C
1,994
50
4
471
473
10.1107/S0108270193009692
null
CopperKα
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D. Two lithium chloroberyllo(phosphate/arsenate) sodalites: Li~4~Cl(BePO~4~)~3~ and Li~4~Cl(BeAsO~4~)~3~ Acta Crystallographica Section C 50(4) (1994) 471-473
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009594.cif $ #-------------------------------------------------------------------...
4,321,813
8.812
0.003
9.631
0.002
7.266
0.003
90
null
113.4
0.03
90
null
565.9
0.3
297
null
297
null
null
null
null
null
synthesis
4
C 1 2/m 1
-C 2y
12
copper(I) cyanide/dimethylpiperazine complex
- C8 H14 Cu2 N4 -
- C6 H18 Cu2 N6 -
- C12 H36 Cu4 N12 -
2
0.25
Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton
Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines
Inorganic Chemistry
1,999
38
984
991
10.1021/ic970226b
0.71073
MoKalpha
null
0.033
null
null
0.039
null
null
null
null
1.35
1.35
null
null
null
has coordinates
Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines Inorganic Chemistry 38 (1999) 984-991
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321813.cif $ #-------------------------------------------------------------------...
2,009,595
4.524
0.002
8.526
0.004
6.64
0.003
90
null
102.59
0.03
90
null
250
0.2
298
null
298
null
null
null
null
null
3
A 1 2/m 1
-A 2y
12
β-dicobalt diphosphate
- Co2 O7 P2 -
- Co2 O7 P2 -
- Co4 O14 P4 -
2
0.25
BR1056
El Belghitti, Alaoui; Boukhari, Ali; Holt, Elizabeth M.
β-Dicobalt pyrophosphate
Acta Crystallographica Section C
1,994
50
4
482
484
10.1107/S010827019301100X
0.71069
MoKα
null
0.057
null
null
0.073
null
null
null
null
0.98
0.98
null
null
null
has coordinates
El Belghitti, Alaoui; Boukhari, Ali; Holt, Elizabeth M. β-Dicobalt pyrophosphate Acta Crystallographica Section C 50(4) (1994) 482-484
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/2/00/95/2009595.cif $ #-------------------------------------------------------------------...
2,009,596
11.638
0.003
13.684
0.003
14.235
0.005
88.9
0.02
77.46
0.02
78.77
0.02
2,169.9
1.1
295
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C39 H32 Cl4 O6 S6 -
- C39 H32 Cl7 O6 S6 -
- C78 H64 Cl14 O12 S12 -
2
1
CD1049
Pang, L.; Hynes, R. C.; Whitehead, M. A.
Tris(5-acetyl-3-thienyl)methane–tetrachloromethane (2/1) inclusion compound
Acta Crystallographica Section C
1,994
50
4
615
617
10.1107/S0108270193009072
0.7093
MoKα
null
0.058
null
null
0.058
null
null
null
null
1.81
1.81
null
null
null
has coordinates
Pang, L.; Hynes, R. C.; Whitehead, M. A. Tris(5-acetyl-3-thienyl)methane–tetrachloromethane (2/1) inclusion compound Acta Crystallographica Section C 50(4) (1994) 615-617
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/95/2009596.cif $ #-------------------------------------------------------------------...
2,009,597
29.368
0.001
13.378
0.002
13.186
0.002
90
null
111.52
0.01
90
null
4,819.4
1.1
294
null
294
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
Dimethyl 3,8-diphenyl-2a,2b,8b,8c-tetrahydrocyclopropa[cd] pentaleno[1,2-b]naphthalene-2a,8c-dicarboxylate OR Dimethyl 1',4'-diphenylnaphtho[2,3-f]tricyclo[3.3.0.0^2,8^]octa- 3,6-dien-1,2-dicarboxylate
- C32 H24 O4 -
- C32 H24 O4 -
- C256 H192 O32 -
8
1
CD1057
Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James
The photolysis product of dimethyl 9,10-diphenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate
Acta Crystallographica Section C
1,994
50
4
581
583
10.1107/S0108270193010807
1.5418
CopperKα
0.175
0.068
null
0.102
0.088
null
null
null
null
2.3
2.3
null
null
null
has coordinates
Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James The photolysis product of dimethyl 9,10-diphenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section C 50(4) (1994) 581-583
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009597.cif $ #-------------------------------------------------------------------...
2,009,598
9.772
0.001
11.034
0.002
8.174
0.001
92.58
0.01
111.5
0.01
97.96
0.01
807.7
0.2
294
null
294
null
null
null
null
null
3
P -1
-P 1
2
Methyl 2-benzoyl-1,4-dihydro-1,4-ethenonaphthalene-3-carboxylate
- C21 H16 O3 -
- C21 H16 O3 -
- C42 H32 O6 -
2
1
CD1059
Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James; Yap, Melvin
An ethenonaphthalene and one of its photolysis products
Acta Crystallographica Section C
1,994
50
4
578
581
10.1107/S0108270193010819
1.5418
CuKα
0.053
0.042
null
0.092
0.08
null
null
null
null
2.7
2.7
null
null
null
has coordinates
Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James; Yap, Melvin An ethenonaphthalene and one of its photolysis products Acta Crystallographica Section C 50(4) (1994) 578-581
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009598.cif $ #-------------------------------------------------------------------...
2,009,599
33.023
0.002
11.21
0.001
8.637
0.002
90
null
90
null
90
null
3,197.3
0.8
294
null
294
null
null
null
null
null
3
P b c a
-P 2ac 2ab
61
Methyl 6c-benzoyl-2a,2b,6b,6c-tetrahydrobenzo[a]cyclopropa[cd] pentalene-6b-carboxylate OR Methyl 1-benzoylbenzo[f]tricyclo[3.3.0.0^2,8^]octa-3,6-dien- 5-carboxylate OR Methyl 3-benzoyltetracyclo[6.4.0.0^2,4^.0^3,7^]dodeca- 1(8),5,9,11-tetraen-7-carboxylate
- C21 H16 O3 -
- C21 H16 O3 -
- C168 H128 O24 -
8
1
CD1059
Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James; Yap, Melvin
An ethenonaphthalene and one of its photolysis products
Acta Crystallographica Section C
1,994
50
4
578
581
10.1107/S0108270193010819
1.5418
CuKα
0.054
0.042
null
0.064
0.063
null
null
null
null
2
2
null
null
null
has coordinates
Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James; Yap, Melvin An ethenonaphthalene and one of its photolysis products Acta Crystallographica Section C 50(4) (1994) 578-581
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/95/2009599.cif $ #-------------------------------------------------------------------...
4,321,812
8.714
0.003
8.714
0.003
8.083
0.004
90
null
90
null
120
null
531.5
0.4
297
null
297
null
null
null
null
null
systhesis
4
P 63
P 6c
173
hydrogen cyanide/copper(I) cyanide/diazobicyclooctane complex
- C9 H13 Cu2 N5 -
- C9 H6 Cu2 N5 -
- C18 H12 Cu4 N10 -
2
0.333333
Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton
Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines
Inorganic Chemistry
1,999
38
984
991
10.1021/ic970226b
0.71073
MoKalpha
null
0.03
null
null
0.038
null
null
null
null
1.76
1.76
null
null
null
has coordinates
Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines Inorganic Chemistry 38 (1999) 984-991
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321812.cif $ #-------------------------------------------------------------------...
2,009,600
10.349
0.001
16.62
0.001
8.9933
0.0006
90
null
90
null
90
null
1,546.9
0.2
294
null
294
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
12-Methyl 9-hydroxymethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate lactone OR Methyl 3,5-dihydro-3-oxo-1H-5,9b[1',2']benzenonaphtho[1,2-c]furan- 4-carboxylate
- C20 H14 O4 -
- C20 H14 O4 -
- C80 H56 O16 -
4
1
CD1060
Chen, Jianxin; Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James
12-Methyl-9-hydroxymethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate lactone
Acta Crystallographica Section C
1,994
50
4
576
578
10.1107/S0108270193010820
1.5418
CuKα
0.049
0.038
null
0.056
0.055
null
null
null
null
1.77
1.77
null
null
null
has coordinates
Chen, Jianxin; Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James 12-Methyl-9-hydroxymethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate lactone Acta Crystallographica Section C 50(4) (1994) 576-578
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009600.cif $ #-------------------------------------------------------------------...
2,009,601
7.858
0.001
7.858
0.001
7.086
0.001
90
null
90
null
120
null
378.93
0.09
293
null
293
null
null
null
null
null
4
P 63/m
-P 6c
176
Aluminium hydrogen phosphite
- Al2 H3 O9 P3 -
- Al2 H3 O9 P3 -
- Al4 H6 O18 P6 -
2
0.166667
CR1025
Morris, Russell E.; Attfield, Martin P.; Cheetham, Anthony K.
Synthesis and structures of two isostructural phosphites, Al~2~(HPO~3~)~3~ and Ga~2~(HPO~3~)~3~
Acta Crystallographica Section C
1,994
50
4
473
476
10.1107/S0108270193009217
0.71069
MoKα
0.0177
null
null
0.0185
null
null
null
null
null
null
null
null
null
null
has coordinates
Morris, Russell E.; Attfield, Martin P.; Cheetham, Anthony K. Synthesis and structures of two isostructural phosphites, Al~2~(HPO~3~)~3~ and Ga~2~(HPO~3~)~3~ Acta Crystallographica Section C 50(4) (1994) 473-476
198,601
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-07-10 18:33:26 +0300 (Mon, 10 Jul 2017) $ #$Revision: 198601 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/96/2009601.cif $ #-------------------------------------------------------------------...
2,009,602
7.91382
0.00006
7.91382
0.00006
7.24062
0.00007
90
null
90
null
120
null
392.716
0.006
null
null
null
null
null
null
null
null
4
P 63/m
-P 6c
176
Gallium hydrogen phosphite
- Ga2 H3 O9 P3 -
- Ga2 H3 O9 P3 -
- Ga4 H6 O18 P6 -
2
0.166667
CR1025
Morris, Russell E.; Attfield, Martin P.; Cheetham, Anthony K.
Synthesis and structures of two isostructural phosphites, Al~2~(HPO~3~)~3~ and Ga~2~(HPO~3~)~3~
Acta Crystallographica Section C
1,994
50
4
473
476
10.1107/S0108270193009217
1.54178
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Morris, Russell E.; Attfield, Martin P.; Cheetham, Anthony K. Synthesis and structures of two isostructural phosphites, Al~2~(HPO~3~)~3~ and Ga~2~(HPO~3~)~3~ Acta Crystallographica Section C 50(4) (1994) 473-476
190,398
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-11 15:51:15 +0200 (Wed, 11 Jan 2017) $ #$Revision: 190398 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/96/2009602.cif $ #-------------------------------------------------------------------...
2,009,603
10.597
0.003
11.704
0.004
14.39
0.006
90
null
103.28
0.03
90
null
1,737
1.1
298
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C17 H24 Cl3 N -
- C17 H24 Cl3 N -
- C68 H96 Cl12 N4 -
4
1
CR1066
Cai, B.; Pan, Y.; Qiu, H.; Dewan, J. C.; Wink, D. J.; Murphy, R. B.; Schuster, D. I.
Diastereomeric octahydronaphthoquinolizines
Acta Crystallographica Section C
1,994
50
4
609
613
10.1107/S0108270193009242
1.54178
CuKα
null
0.085
null
null
0.08
null
null
null
null
2.26
2.26
null
null
null
has coordinates
Cai, B.; Pan, Y.; Qiu, H.; Dewan, J. C.; Wink, D. J.; Murphy, R. B.; Schuster, D. I. Diastereomeric octahydronaphthoquinolizines Acta Crystallographica Section C 50(4) (1994) 609-613
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009603.cif $ #-------------------------------------------------------------------...
4,321,811
5.97
0.003
12.019
0.005
10.994
0.005
90
0.03
92.59
0.03
90
0.03
788.1
0.6
125
2
125
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
Methyl-chloromethylidene-oxonium-hexafluoroantimonate
- C2 H4 Cl F6 O Sb -
- C2 H4 Cl F6 O Sb -
- C8 H16 Cl4 F24 O4 Sb4 -
4
1
Rolf Minkwitz; Stefan Reinemann; Oliver Blecher; Hans Hartl; Irene Brüdgam
Halogenated Carboxonium Salts: Preparation and Structural Analysis
Inorganic Chemistry
1,999
38
844
847
10.1021/ic981212o
0.71073
MoKα
0.0439
0.0419
null
0.1372
0.1344
null
null
null
1.141
1.146
1.146
null
null
null
has coordinates
Rolf Minkwitz; Stefan Reinemann; Oliver Blecher; Hans Hartl; Irene Brüdgam Halogenated Carboxonium Salts: Preparation and Structural Analysis Inorganic Chemistry 38 (1999) 844-847
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321811.cif $ #-------------------------------------------------------------------...
2,009,604
8.922
0.002
11.522
0.005
15.734
0.002
90
null
97.51
0.01
90
null
1,603.6
0.8
298
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C16 H22 Cl N O4 -
- C16 H22 Cl N O4 -
- C64 H88 Cl4 N4 O16 -
4
1
CR1066
Cai, B.; Pan, Y.; Qiu, H.; Dewan, J. C.; Wink, D. J.; Murphy, R. B.; Schuster, D. I.
Diastereomeric octahydronaphthoquinolizines
Acta Crystallographica Section C
1,994
50
4
609
613
10.1107/S0108270193009242
1.54178
CuKα
null
0.066
null
null
0.075
null
null
null
null
2.59
2.59
null
null
null
has coordinates
Cai, B.; Pan, Y.; Qiu, H.; Dewan, J. C.; Wink, D. J.; Murphy, R. B.; Schuster, D. I. Diastereomeric octahydronaphthoquinolizines Acta Crystallographica Section C 50(4) (1994) 609-613
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009604.cif $ #-------------------------------------------------------------------...
2,009,605
8.427
0.002
13.509
0.001
7.467
0.003
92.06
0.02
111.18
0.02
94.11
0.01
788.8
0.4
298
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C16 H22 Cl N O4 -
- C16 H22 Cl N O4 -
- C32 H44 Cl2 N2 O8 -
2
1
CR1066
Cai, B.; Pan, Y.; Qiu, H.; Dewan, J. C.; Wink, D. J.; Murphy, R. B.; Schuster, D. I.
Diastereomeric octahydronaphthoquinolizines
Acta Crystallographica Section C
1,994
50
4
609
613
10.1107/S0108270193009242
1.54178
CuKα
null
0.08
null
null
0.103
null
null
null
null
3.96
3.96
null
null
null
has coordinates
Cai, B.; Pan, Y.; Qiu, H.; Dewan, J. C.; Wink, D. J.; Murphy, R. B.; Schuster, D. I. Diastereomeric octahydronaphthoquinolizines Acta Crystallographica Section C 50(4) (1994) 609-613
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009605.cif $ #-------------------------------------------------------------------...
2,009,606
11.062
0.005
11.616
0.005
16.817
0.006
97.15
0.03
93.45
0.03
93.2
0.03
2,135.9
1.5
293
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C24 H20 Au P S -
- C48 H40 Au2 P2 S2 -
- C96 H80 Au4 P4 S4 -
2
1
CR1067
Fackler, J.P.Jr.; Staples, R.J.; Elduque, A.; Grant, T.
Benzenethiolato(triphenylphosphine)gold(I)
Acta Crystallographica Section C
1,994
50
4
520
523
10.1107/S0108270193009254
0.71073
MoKα
null
0.038
null
null
0.0396
null
null
null
null
1.28
1.28
null
null
null
has coordinates
Fackler, J.P.Jr.; Staples, R.J.; Elduque, A.; Grant, T. Benzenethiolato(triphenylphosphine)gold(I) Acta Crystallographica Section C 50(4) (1994) 520-523
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/96/2009606.cif $ #-------------------------------------------------------------------...
2,009,607
37.462
0.002
6.2017
0.0003
8.1843
0.0004
90
null
98.891
0.004
90
null
1,878.6
0.16
293
2
293
2
null
null
null
null
4
C 1 2 1
C 2y
5
cyclo-glycyl-L-phenylglycine
- C10 H10.5 N2 O2.25 -
- C10 H10.5 N2 O2.25 -
- C80 H84 N16 O18 -
8
2
CR1093
Szkaradzinska, Maria B.; Kubicki, Maciej; Codding, Penelope W.
Two cyclic dipeptide anticonvulsants: <i>cyclo</i>-glycyl-<small>L</small>-phenylglycine (1) and <i>cyclo</i>-<small>L</small>-alanyl-<small>D</small>-phenylglycine (2)
Acta Crystallographica Section C
1,994
50
4
565
569
10.1107/S0108270193010467
1.54178
CuKα
0.0467
0.0444
null
0.1546
0.1287
null
null
null
1.066
1.075
1.075
null
null
null
has coordinates
Szkaradzinska, Maria B.; Kubicki, Maciej; Codding, Penelope W. Two cyclic dipeptide anticonvulsants: <i>cyclo</i>-glycyl-<small>L</small>-phenylglycine (1) and <i>cyclo</i>-<small>L</small>-alanyl-<small>D</small>-phenylglycine (2) Acta Crystallographica Section C 50(4) (1994) 565-569
201,955
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/96/2009607.cif $ #-------------------------------------------------------------------...
2,009,608
5.0084
0.0006
20.367
0.003
5.2057
0.0005
90
null
105.198
0.008
90
null
512.44
0.11
293
2
293
2
null
null
null
null
4
P 1 21 1
P 2yb
4
cyclo-L-alanyl-D-phenylglycine
- C11 H12 N2 O2 -
- C11 H12 N2 O2 -
- C22 H24 N4 O4 -
2
1
CR1093
Szkaradzinska, Maria B.; Kubicki, Maciej; Codding, Penelope W.
Two cyclic dipeptide anticonvulsants: <i>cyclo</i>-glycyl-<small>L</small>-phenylglycine (1) and <i>cyclo</i>-<small>L</small>-alanyl-<small>D</small>-phenylglycine (2)
Acta Crystallographica Section C
1,994
50
4
565
569
10.1107/S0108270193010467
1.54178
CuKα
0.0473
0.0462
null
0.1218
0.1174
null
null
null
1.096
1.106
1.106
null
null
null
has coordinates
Szkaradzinska, Maria B.; Kubicki, Maciej; Codding, Penelope W. Two cyclic dipeptide anticonvulsants: <i>cyclo</i>-glycyl-<small>L</small>-phenylglycine (1) and <i>cyclo</i>-<small>L</small>-alanyl-<small>D</small>-phenylglycine (2) Acta Crystallographica Section C 50(4) (1994) 565-569
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009608.cif $ #-------------------------------------------------------------------...
4,321,810
9.942
0.002
7.454
0.002
10.297
0.003
90
0.03
111.27
0.02
90
0.03
711.1
0.3
125
2
125
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Methyl-fluoromethylidene-oxonium-hexafluoroantimonate
- C2 H4 F7 O Sb -
- C2 H4 F7 O Sb -
- C8 H16 F28 O4 Sb4 -
4
1
Rolf Minkwitz; Stefan Reinemann; Oliver Blecher; Hans Hartl; Irene Brüdgam
Halogenated Carboxonium Salts: Preparation and Structural Analysis
Inorganic Chemistry
1,999
38
844
847
10.1021/ic981212o
0.71073
MoKα
0.0516
0.0471
null
0.1515
0.1446
null
null
null
1.196
1.218
1.218
null
null
null
has coordinates
Rolf Minkwitz; Stefan Reinemann; Oliver Blecher; Hans Hartl; Irene Brüdgam Halogenated Carboxonium Salts: Preparation and Structural Analysis Inorganic Chemistry 38 (1999) 844-847
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321810.cif $ #-------------------------------------------------------------------...
2,009,609
10.302
0.001
13.96
0.001
16.64
0.001
90
null
90
null
90
null
2,393.1
0.3
296
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
null
- C20 H20 Cl2 Cu N4 O8 -
- C20 H20 Cl2 Cu N4 O8 -
- C80 H80 Cl8 Cu4 N16 O32 -
4
1
DU1052
Agnus, Y.; Labarelle, M.; Louis, R.; Metz, B.
Absolute configuration of di(perchlorato-<i>O</i>)tetra(pyridine-<i>N</i>)copper(II), [Cu(ClO~4~)~2~(py)~4~]
Acta Crystallographica Section C
1,994
50
4
536
538
10.1107/S0108270193009813
1.5418
CuKα
null
0.048
null
null
0.047
null
null
null
null
1.13
1.13
null
null
null
has coordinates
Agnus, Y.; Labarelle, M.; Louis, R.; Metz, B. Absolute configuration of di(perchlorato-<i>O</i>)tetra(pyridine-<i>N</i>)copper(II), [Cu(ClO~4~)~2~(py)~4~] Acta Crystallographica Section C 50(4) (1994) 536-538
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009609.cif $ #-------------------------------------------------------------------...
2,009,610
22.535
0.015
10.322
0.005
5.923
0.003
90
null
90
null
90
null
1,377.7
1.3
300
1
300
1
null
null
null
null
4
P n a 21
P 2c -2n
33
dipotassium hydrogenphosphate
- H K2 O4 P -
- H K2 O4 P -
- H12 K24 O48 P12 -
12
3
DU1064
Lis, Tadeusz
Isomorphous crystals: K~2~HPO~4~ and K~5~Na(HPO~4~)~3~
Acta Crystallographica Section C
1,994
50
4
484
487
10.1107/S0108270193011023
0.71069
MoKα
null
0.032
null
null
0.029
null
null
null
null
2.08
2.08
null
null
null
has coordinates
Lis, Tadeusz Isomorphous crystals: K~2~HPO~4~ and K~5~Na(HPO~4~)~3~ Acta Crystallographica Section C 50(4) (1994) 484-487
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/2/00/96/2009610.cif $ #-------------------------------------------------------------------...
2,009,611
22.402
0.015
9.979
0.005
5.822
0.003
90
null
90
null
90
null
1,301.5
1.3
100
1
100
1
null
null
null
null
5
P n a 21
P 2c -2n
33
pentapotassium sodium trihydrogenphosphate
- H3 K5 Na O12 P3 -
- H3 K5 Na O12 P3 -
- H12 K20 Na4 O48 P12 -
4
1
DU1064
Lis, Tadeusz
Isomorphous crystals: K~2~HPO~4~ and K~5~Na(HPO~4~)~3~
Acta Crystallographica Section C
1,994
50
4
484
487
10.1107/S0108270193011023
0.71069
MoKα
null
0.0256
null
null
0.0298
null
null
null
null
1.07
1.07
null
null
null
has coordinates
Lis, Tadeusz Isomorphous crystals: K~2~HPO~4~ and K~5~Na(HPO~4~)~3~ Acta Crystallographica Section C 50(4) (1994) 484-487
288,322
2023-12-14
18:32:15
#------------------------------------------------------------------------------ #$Date: 2023-12-14 20:32:12 +0200 (Thu, 14 Dec 2023) $ #$Revision: 288322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/96/2009611.cif $ #-------------------------------------------------------------------...
2,009,612
12.509
0.005
13.139
0.005
12.197
0.005
109.77
0.04
104.77
0.04
96.42
0.04
1,780.4
1.4
293
null
293
null
null
null
null
null
3
P -1
-P 1
2
1,3,5-Tris[3-(2,6,6-triméthyl-1-cyclohexen-1-yl)acryloyle]benzène
- C42 H54 O3 -
- C42 H54 O3 -
- C84 H108 O6 -
2
1
DU1065
Ginderow, Daria; Valla, Alain; Andriamialisoa, Zo; Giraud, Michel
1,3,5-Tris[3-(2,6,6-triméthyl-1-cyclohexen-1-yl)acryloyle]benzène
Acta Crystallographica Section C
1,994
50
4
574
576
10.1107/S010827019301145X
1.5418
radiation:CuKα
null
0.066
null
null
0.063
null
null
null
null
3.892
3.892
null
null
null
has coordinates
Ginderow, Daria; Valla, Alain; Andriamialisoa, Zo; Giraud, Michel 1,3,5-Tris[3-(2,6,6-triméthyl-1-cyclohexen-1-yl)acryloyle]benzène Acta Crystallographica Section C 50(4) (1994) 574-576
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009612.cif $ #-------------------------------------------------------------------...
2,009,613
7.346
0.001
10.632
0.001
11.986
0.001
64.85
0.01
88.31
0.01
89.31
0.01
847.02
0.17
293
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C7 H13 N3 O -
- C7 H13 N3 O -
- C28 H52 N12 O4 -
4
2
GR1006
Di Maio, G.; Li, S.; Portalone, G.; Zhou, K.; Marciante, C.; Spagna, R.
Cyclohexanone semicarbazone and 4-<i>tert</i>-butylcyclohexanone semicarbazone
Acta Crystallographica Section C
1,994
50
4
635
638
10.1107/S0108270193009369
1.5418
CuKα
null
0.0399
null
null
0.045
null
null
null
null
0.1
0.1
null
null
null
has coordinates
Di Maio, G.; Li, S.; Portalone, G.; Zhou, K.; Marciante, C.; Spagna, R. Cyclohexanone semicarbazone and 4-<i>tert</i>-butylcyclohexanone semicarbazone Acta Crystallographica Section C 50(4) (1994) 635-638
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009613.cif $ #-------------------------------------------------------------------...
4,321,809
13.268
0.001
29.472
0.001
18.765
0.001
90
null
95.93
null
90
null
7,298.5
0.7
100
2
100
2
null
null
null
null
6
P 1 21/a 1
-P 2yab
14
- C88.66 H57.66 Cl1.98 N9 O Ru -
- C88 H57 N9 O Ru -
- C352 H228 N36 O4 Ru4 -
4
1
Enzo Alessio; Silvano Geremia; Stefano Mestroni; Elisabetta Iengo; Ivana Srnova; Miroslav Slouf
Solution and Solid State Structure of a Canted, Side-to-Face, Bis(porphyrin) Adduct
Inorganic Chemistry
1,999
38
869
875
10.1021/ic980816p
0.8
synchrotron
0.0474
0.0392
null
null
0.1214
0.1325
null
null
null
null
null
1.043
null
null
has coordinates
Enzo Alessio; Silvano Geremia; Stefano Mestroni; Elisabetta Iengo; Ivana Srnova; Miroslav Slouf Solution and Solid State Structure of a Canted, Side-to-Face, Bis(porphyrin) Adduct Inorganic Chemistry 38 (1999) 869-875
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321809.cif $ #-------------------------------------------------------------------...
2,009,614
11.969
0.003
14.541
0.001
11.284
0.001
111.51
0.01
110.69
0.01
88.27
0.02
1,698.1
0.5
295
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C41 H35 N3 P2 Ru -
- C41 H35 N3 P2 Ru -
- C82 H70 N6 P4 Ru2 -
2
1
HA1048
Taqui Khan, M.M.; Bhadbhade, M.M.; Siddiqui, M.R.H.; Venkatasubramanian, K.; Tikhonova, J.A.
Azido(η^5^-cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)
Acta Crystallographica Section C
1,994
50
4
502
504
10.1107/S0108270193007425
1.5418
CuKα
null
0.038
null
null
0.041
null
null
null
null
0.51
0.51
null
null
null
has coordinates
Taqui Khan, M.M.; Bhadbhade, M.M.; Siddiqui, M.R.H.; Venkatasubramanian, K.; Tikhonova, J.A. Azido(η^5^-cyclopentadienyl)bis(triphenylphosphine)ruthenium(II) Acta Crystallographica Section C 50(4) (1994) 502-504
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/96/2009614.cif $ #-------------------------------------------------------------------...
2,009,615
7.925
0.001
9.281
0.002
20.918
0.003
90
null
90
null
90
null
1,538.6
0.4
293
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C21 H18 O2 -
- C21 H18 O2 -
- C84 H72 O8 -
4
1
HA1052
Pattabhi, V.; Banumathi, S.; Goverdhan, M.; Padma, S.
Cycloaddition products of tricyclo[6.2.1.0^2,7^]undeca-2(7),4,9-triene-3,6-dione
Acta Crystallographica Section C
1,994
50
4
594
597
10.1107/S0108270193007814
1.5418
CuKα
null
0.068
null
null
0.099
null
null
null
null
3.25
3.25
null
null
null
has coordinates
Pattabhi, V.; Banumathi, S.; Goverdhan, M.; Padma, S. Cycloaddition products of tricyclo[6.2.1.0^2,7^]undeca-2(7),4,9-triene-3,6-dione Acta Crystallographica Section C 50(4) (1994) 594-597
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009615.cif $ #-------------------------------------------------------------------...
2,009,616
6.293
0.001
28.348
0.001
7.856
0.001
90
null
95.29
0.01
90
null
1,395.5
0.3
295
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C19 H16 O2 -
- C19 H16 O2 -
- C76 H64 O8 -
4
1
HA1052
Pattabhi, V.; Banumathi, S.; Goverdhan, M.; Padma, S.
Cycloaddition products of tricyclo[6.2.1.0^2,7^]undeca-2(7),4,9-triene-3,6-dione
Acta Crystallographica Section C
1,994
50
4
594
597
10.1107/S0108270193007814
1.5418
CuKα
null
0.064
null
null
0.063
null
null
null
null
2.6
2.6
null
null
null
has coordinates
Pattabhi, V.; Banumathi, S.; Goverdhan, M.; Padma, S. Cycloaddition products of tricyclo[6.2.1.0^2,7^]undeca-2(7),4,9-triene-3,6-dione Acta Crystallographica Section C 50(4) (1994) 594-597
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009616.cif $ #-------------------------------------------------------------------...
2,009,617
7.4731
0.0007
10.8843
0.0008
9.0286
0.0006
90
null
112.992
0.007
90
null
676.04
0.1
293
null
293
null
null
null
null
null
4
P 1 c 1
P -2yc
7
6-amino-2-methoxy-3-methyl-5-[(E)-1,2-dicarbomethoxyvinyl]pyrimidin-4-(3H)- one
- C12 H15 N3 O6 -
- C12 H15 N3 O6 -
- C24 H30 N6 O12 -
2
1
HA1082
Low, John N.; Egglishaw, Clare; Ferguson, George; Cobo, Justo; Garcia, Celeste; Melguizo, Manuel; Nogueras, Manuel; Sanchez, Adolfo
6-Amino-5-[(<i>E</i>)-1,2-bis(methoxycarbonyl)vinyl]-2-methoxy-3-methylpyrimidin-4(3<i>H</i>)-one
Acta Crystallographica Section C
1,994
50
4
585
587
10.1107/S0108270193011953
0.71067
MoKα
0.037
0.032
null
0.047
0.045
null
null
null
null
1.25
1.25
null
null
null
has coordinates
Low, John N.; Egglishaw, Clare; Ferguson, George; Cobo, Justo; Garcia, Celeste; Melguizo, Manuel; Nogueras, Manuel; Sanchez, Adolfo 6-Amino-5-[(<i>E</i>)-1,2-bis(methoxycarbonyl)vinyl]-2-methoxy-3-methylpyrimidin-4(3<i>H</i>)-one Acta Crystallographica Section C 50(4) (1994) 585-587
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009617.cif $ #-------------------------------------------------------------------...
4,321,808
12.624
0.004
14.24
0.02
27.312
0.003
92.35
0.03
91.655
0.015
90.28
0.05
4,903
7
293
2
293
2
null
null
null
null
7
P -1
-P 1
2
- C88 H112 Cl2 N10 O2 P2 Pt4 -
- C88 H108 Cl2 N10 O2 P2 Pt4 -
- C176 H216 Cl4 N20 O4 P4 Pt8 -
2
1
Tianle Zhang; Marc Drouin; Pierre D. Harvey
Preparation, Characterization, and Luminescence Properties of a 58-Electron Linear Pt4 Cluster, [Pt4(dmb)4(PPh3)2]2+ (dmb = 1,8-Diisocyano-p-menthane), and Its Diphosphine Polymers
Inorganic Chemistry
1,999
38
957
963
10.1021/ic9807947
1.5406
CuKa
0.0822
0.0738
null
null
0.2097
0.2199
null
null
null
null
null
1.018
null
null
has coordinates,has disorder
Tianle Zhang; Marc Drouin; Pierre D. Harvey Preparation, Characterization, and Luminescence Properties of a 58-Electron Linear Pt4 Cluster, [Pt4(dmb)4(PPh3)2]2+ (dmb = 1,8-Diisocyano-p-menthane), and Its Diphosphine Polymers Inorganic Chemistry 38 (1999) 957-963
179,321
2020-10-21
18:00:00
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2,009,618
9.301
0.002
12.468
0.004
10.72
0.003
90
null
99.48
0.02
90
null
1,226.2
0.6
293
null
null
null
null
null
null
null
6
P 1 21/a 1
-P 2yab
null
- C18 H26 Cl2 Cu2 N4 O10 -
- C18 H26 Cl2 Cu2 N4 O10 -
- C36 H52 Cl4 Cu4 N8 O20 -
2
0.5
HE1005
Mukherjee, M.; Mukherjee, A. K.; Datta, S. J.; Nanda, K. K.; Helliwell, M.
A dinuclear copper(II) complex [Cu~2~<i>L</i>~2~](ClO~4~)~2~ derived from 2,6-bis(aminomethyl)-4-methylphenol (H<i>L</i>)
Acta Crystallographica Section C
1,994
50
4
542
544
10.1107/S0108270193010121
1.5418
CuKα
null
0.046
null
null
0.052
null
null
null
null
1.01
1.01
null
null
null
has coordinates
Mukherjee, M.; Mukherjee, A. K.; Datta, S. J.; Nanda, K. K.; Helliwell, M. A dinuclear copper(II) complex [Cu~2~<i>L</i>~2~](ClO~4~)~2~ derived from 2,6-bis(aminomethyl)-4-methylphenol (H<i>L</i>) Acta Crystallographica Section C 50(4) (1994) 542-544
301,791
2025-08-18
23:15:34
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2,009,619
6.192
0.001
13.99
0.001
16.883
0.002
90
null
90
null
90
null
1,462.5
0.3
292
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C18 H20 O3 -
- C18 H20 O3 -
- C72 H80 O12 -
4
1
HH1077
Czerwinski, E.W.; Cao, Z.; Liehr, J.
3,8α-Dihydroxyestra-1,3,5(10),6-tetraen-17-one
Acta Crystallographica Section C
1,994
50
4
601
603
10.1107/S0108270193007036
1.5418
CuKα
null
0.067
null
null
0.066
null
null
null
null
1.006
1.006
null
null
null
has coordinates
Czerwinski, E.W.; Cao, Z.; Liehr, J. 3,8α-Dihydroxyestra-1,3,5(10),6-tetraen-17-one Acta Crystallographica Section C 50(4) (1994) 601-603
301,791
2025-08-18
23:15:34
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2,009,620
8.231
0.004
8.792
0.005
23.6
0.02
90
null
90
null
90
null
1,707.9
1.9
297
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C16 H22 O9 -
- C16 H22 O9 -
- C64 H88 O36 -
4
1
HL1037
Lee, C.K.; Koh, L.L.
2,2'-Di-<i>O</i>-acetyl-3,6;3',6'-dianhydro-4,4'-dideoxy-α,α-trehalose
Acta Crystallographica Section C
1,994
50
4
597
601
10.1107/S0108270193008534
0.71069
MoKα
null
0.0597
null
null
0.0537
null
null
null
null
1.31
1.31
null
null
null
has coordinates
Lee, C.K.; Koh, L.L. 2,2'-Di-<i>O</i>-acetyl-3,6;3',6'-dianhydro-4,4'-dideoxy-α,α-trehalose Acta Crystallographica Section C 50(4) (1994) 597-601
301,791
2025-08-18
23:15:34
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2,009,621
12.463
0.003
7.7459
0.0017
7.6212
0.0016
90
null
90
null
90
null
735.7
0.3
291
2
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
- C6 H10 O2 S -
- C6 H10 O2 S -
- C24 H40 O8 S4 -
4
0.5
HL1038
Gainsford, G.J.; Woolhouse, A.D.
2-<i>n</i>-Propylthiete sulfone
Acta Crystallographica Section C
1,994
50
4
606
607
10.1107/S0108270193008947
0.7093
MoKα~1~
null
0.035
null
null
0.046
null
null
null
null
1.627
1.627
null
null
null
has coordinates
Gainsford, G.J.; Woolhouse, A.D. 2-<i>n</i>-Propylthiete sulfone Acta Crystallographica Section C 50(4) (1994) 606-607
301,791
2025-08-18
23:15:34
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2,009,622
8.235
0.003
11.152
0.004
18.442
0.005
100.6
0.03
102.1
0.02
96.89
0.03
1,605.5
1
298
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C34 H39 Cl Fe2 I3 -
- C32 H34 Cl Fe2 I3 -
- C64 H68 Cl2 Fe4 I6 -
2
1
HU1046
Dong, T.-H.; Huang, C.-H.
Structural characterization of mixed valence 1',2',1''',2'''-tetraethylbiferrocenium triiodide
Acta Crystallographica Section C
1,994
50
4
546
549
10.1107/S0108270193010169
0.7107
MoKα
null
0.048
null
null
0.049
null
null
null
null
1.52
1.52
null
null
null
has coordinates
Dong, T.-H.; Huang, C.-H. Structural characterization of mixed valence 1',2',1''',2'''-tetraethylbiferrocenium triiodide Acta Crystallographica Section C 50(4) (1994) 546-549
176,759
2020-10-21
18:00:00
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2,009,623
16.382
0.008
16.796
0.007
10.926
0.003
90
null
90
null
90
null
3,006
2
293
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
null
- C31 H32 Cl2 O2 P2 Pt -
- C31 H32 Cl2 O2 P2 Pt -
- C124 H128 Cl8 O8 P8 Pt4 -
4
1
HU1050
Ganter, C.; Orpen, A.G.; Bergamini, P.; Costa, E.
A new orthorhombic crystal form of dichloro[(‒)-(<i>R</i>,<i>R</i>)-2,2-dimethyl-4,5-bis(diphenylphosphinomethyl)-1,3-dioxolane-<i>P</i>,<i>P</i>']platinum, [{(<i>R</i>,<i>R</i>)-diop}PtCl~2~]
Acta Crystallographica Section C
1,994
50
4
507
510
10.1107/S0108270193010170
0.71073
MoKα
null
0.063
null
null
0.056
null
null
null
null
1.19
1.19
null
null
null
has coordinates
Ganter, C.; Orpen, A.G.; Bergamini, P.; Costa, E. A new orthorhombic crystal form of dichloro[(‒)-(<i>R</i>,<i>R</i>)-2,2-dimethyl-4,5-bis(diphenylphosphinomethyl)-1,3-dioxolane-<i>P</i>,<i>P</i>']platinum, [{(<i>R</i>,<i>R</i>)-diop}PtCl~2~] Acta Crystallographica Section C 50(4) (1994) 507-510
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/2/00/96/2009623.cif $ #-------------------------------------------------------------------...
4,321,807
5.579
0.001
13.918
0.001
18.737
0.002
111.41
null
96.55
0.01
91.12
0.01
1,342.7
0.3
183
2
183
2
null
null
null
null
4
P -1
-P 1
2
- C4 H11 B N2 -
- C4 H11 B N2 -
- C32 H88 B8 N16 -
8
4
Wendy C. Andersen; Daniel R. Mitchell; Kenneth J. H. Young; Xianhui Bu; Vincent M. Lynch; Hermann A. Mayer; William C. Kaska
The Synthesis, X-ray Crystal Structure, and Molecular Structure of Rhenium Tetra-carbonylbromidetrimethylamineisocyanoborane
Inorganic Chemistry
1,999
38
1024
1027
10.1021/ic980697d
0.71073
MoKα
0.3054
0.094
null
0.19
0.1146
null
null
null
1.018
1.374
1.374
null
null
null
has coordinates
Wendy C. Andersen; Daniel R. Mitchell; Kenneth J. H. Young; Xianhui Bu; Vincent M. Lynch; Hermann A. Mayer; William C. Kaska The Synthesis, X-ray Crystal Structure, and Molecular Structure of Rhenium Tetra-carbonylbromidetrimethylamineisocyanoborane Inorganic Chemistry 38 (1999) 1024-1027
301,838
2025-08-20
22:17:34
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2,009,624
13.808
0.006
19.764
0.006
11.696
0.004
99.27
0.03
107.08
0.03
88.12
0.03
3,011
2
296
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C58 H55 Cu3 O3 P4 S5 W -
- C58 H55 Cu3 O3 P4 S5 W -
- C116 H110 Cu6 O6 P8 S10 W2 -
2
1
HU1053
Du, S.; Wu, X.
μ-(<i>O</i>,<i>O</i>'-Diethyl dithiophosphato-2κ<i>S</i>:3κ<i>S</i>')-oxo-1κ<i>O</i>-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;1:3:4κ^3^<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-tricoppertungsten
Acta Crystallographica Section C
1,994
50
4
500
502
10.1107/S0108270193009023
0.71069
MoKα
null
0.045
null
null
0.063
null
null
null
null
1.58
1.58
null
null
null
has coordinates
Du, S.; Wu, X. μ-(<i>O</i>,<i>O</i>'-Diethyl dithiophosphato-2κ<i>S</i>:3κ<i>S</i>')-oxo-1κ<i>O</i>-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;1:3:4κ^3^<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-tricoppertungsten Acta Crystallographica Section C 50(4) (1994) 500-502
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$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/2/00/96/2009624.cif $ #-------------------------------------------------------------------...
2,009,625
9.525
0.008
12.936
0.009
25.831
0.009
78.16
0.04
83.79
0.04
72.26
0.05
2,963
4
296
null
296
null
null
null
null
null
4
P -1
-P 1
2
Exo,exo-17-(3,3,3-trifluro-2-trifluoromethyl-1-azapropenyl)- 4,4,12,12,16,16-hexakis(trifluoromethyl)-3,11,17-triazaheptacyclo [12.4.1.1.^6,9^.0^2,13^.0^3,11^ 0^5,10^.0^15,18^]eicos-7-ene
- C26 H16 F24 N4 -
- C26 H16 F25.5 N4 -
- C104 H64 F102 N16 -
4
2
HU1061
Barlow, M.G.; Pritchard, R.G.; Suliman, N.S.; Tipping, A.E.
<i>exo</i>,<i>exo</i>-4,4,12,12,16,16-Hexakis(trifluoromethyl)-17-(3,3,3-trifluoro-2-trifluoromethyl-1-azapropenyl)-3,11,17-triazaheptacyclo[12.4.1.1^6,9^.0^2,13^.0^3,11^.0^5,10^.0^15,18^]icos-7-ene formed <i>via</i> novel 1,3-dipolar cycloaddition to quadricyclane
Acta Crystallographica Section C
1,994
50
4
553
556
10.1107/S0108270193009011
0.71069
MoKα
null
0.0501
null
null
0.0396
null
null
null
null
2.111
2.111
null
null
null
has coordinates
Barlow, M.G.; Pritchard, R.G.; Suliman, N.S.; Tipping, A.E. <i>exo</i>,<i>exo</i>-4,4,12,12,16,16-Hexakis(trifluoromethyl)-17-(3,3,3-trifluoro-2-trifluoromethyl-1-azapropenyl)-3,11,17-triazaheptacyclo[12.4.1.1^6,9^.0^2,13^.0^3,11^.0^5,10^.0^15,18^]icos-7-ene formed <i>via</i> novel 1,3-dipolar cycloaddition to quadricy...
176,759
2020-10-21
18:00:00
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2,009,626
8.637
0.002
14.976
0.003
13.714
0.003
90
null
94.39
0.02
90
null
1,768.7
0.7
296
null
296
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
4,5:9,10-Dibenzo-1,7-dichloro-1,7-(14-chloromethanonitrilo) tetracyclo[5.5.2.0.^2,6^0^8,12^]tetradec-13-ene
- C21 H16 Cl3 N -
- C21 H16 Cl3 N -
- C84 H64 Cl12 N4 -
4
1
HU1062
Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E.
4,5:9,10-Dibenzo-1,7-dichloro-1,7-(14-chloromethanonitrilo)tetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene, a 2:1 Diels–Alder cycloaddition product of indene and 3,5,6-trichloro-1,2,4-triazine
Acta Crystallographica Section C
1,994
50
4
552
553
10.1107/S0108270193010959
0.71069
MoKα
null
0.0443
null
null
0.0494
null
null
null
null
1.627
1.627
null
null
null
has coordinates
Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E. 4,5:9,10-Dibenzo-1,7-dichloro-1,7-(14-chloromethanonitrilo)tetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene, a 2:1 Diels–Alder cycloaddition product of indene and 3,5,6-trichloro-1,2,4-triazine Acta Crystallographica Section C 50(4) (1994) 552-553
301,791
2025-08-18
23:15:34
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2,009,627
6.241
0.002
12.296
0.003
12.758
0.004
90
null
95.58
0.02
90
null
974.4
0.5
296
null
296
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
1,7-Dichloro-9-azatricyclo[4.3.1.0^3,7^]decan-8-one
- C9 H11 Cl2 N O -
- C9 H11 Cl2 N O -
- C36 H44 Cl8 N4 O4 -
4
1
HU1063
Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E.
1,7-Dichloro-9-azatricyclo[4.3.1.0^3,7^]decan-8-one, a hydrolysed Diels–Alder cycloaddition product from the reaction of 3,5,6-trichloro-1,2,4-triazine with hexa-1,5-diene
Acta Crystallographica Section C
1,994
50
4
550
551
10.1107/S0108270193010960
0.71069
MoKα
null
0.0478
null
null
0.0602
null
null
null
null
2.057
2.057
null
null
null
has coordinates
Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E. 1,7-Dichloro-9-azatricyclo[4.3.1.0^3,7^]decan-8-one, a hydrolysed Diels–Alder cycloaddition product from the reaction of 3,5,6-trichloro-1,2,4-triazine with hexa-1,5-diene Acta Crystallographica Section C 50(4) (1994) 550-551
301,791
2025-08-18
23:15:34
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4,321,806
11.723
0.0004
16.5951
0.0006
27.8526
0.001
90
null
90
null
90
null
5,418.6
0.3
293
2
293
2
null
null
null
null
7
P 21 21 21
P 2ac 2ab
19
- C54 H56 Cl8 Fe2 N2 P2 Ru -
- C54 H56 Cl8 Fe2 N2 P2 Ru -
- C216 H224 Cl32 Fe8 N8 P8 Ru4 -
4
1
Jeong-Ho Song; Dong-Jei Cho; Sang-Jin Jeon; Yong-Hoon Kim; Tae-Jeong Kim; Jong Hwa Jeong
Synthesis of Chiral C2-Symmetric Bisferrocenyldiamines. X-ray Crystal Structure of Ru(2)Cl2.2CHCl3 (2 = N1,N2-Bis{(R)-1-[(S)-2-(diphenylphosphino)]ferrocenylethyl}- N1,N2-dimethyl-1,2-ethanediamine)
Inorganic Chemistry
1,999
38
893
896
10.1021/ic980433r
0.71073
MoKα
0.059
0.0548
null
null
0.1233
0.1257
null
null
null
null
null
1.089
null
null
has coordinates
Jeong-Ho Song; Dong-Jei Cho; Sang-Jin Jeon; Yong-Hoon Kim; Tae-Jeong Kim; Jong Hwa Jeong Synthesis of Chiral C2-Symmetric Bisferrocenyldiamines. X-ray Crystal Structure of Ru(2)Cl2.2CHCl3 (2 = N1,N2-Bis{(R)-1-[(S)-2-(diphenylphosphino)]ferrocenylethyl}- N1,N2-dimethyl-1,2-ethanediamine) Inorganic Chemistry 38 (1999) 89...
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321806.cif $ #-------------------------------------------------------------------...
2,009,628
7.413
0.003
23.75
0.01
7.933
0.003
90
null
110.92
0.04
90
null
1,304.6
1
240
1
240
1
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C15 H14 N2 O3 -
- C15 H14 N2 O3 -
- C60 H56 N8 O12 -
4
1
HU1068
Clegg, William; Stanforth, Stephen P.; Hedley, K. Andrew; Raper, Eric S.; Creighton, James R.
<i>N</i>-[2-(2-Formylphenyl)ethyl]-2-nitroaniline
Acta Crystallographica Section C
1,994
50
4
583
585
10.1107/S0108270193010972
0.71073
MoKα
0.1892
0.0637
null
0.2068
0.1443
null
null
null
1.033
1.217
1.217
null
null
null
has coordinates
Clegg, William; Stanforth, Stephen P.; Hedley, K. Andrew; Raper, Eric S.; Creighton, James R. <i>N</i>-[2-(2-Formylphenyl)ethyl]-2-nitroaniline Acta Crystallographica Section C 50(4) (1994) 583-585
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009628.cif $ #-------------------------------------------------------------------...
2,009,629
31.346
0.001
26.838
0.006
7.293
0.005
90
null
90
null
90
null
6,135
4
300
null
null
null
null
null
null
null
5
F d d 2
F 2 -2d
null
- C11 H19 N5 O6 S -
- C11 H18 N5 O5.5 S -
- C176 H288 N80 O88 S16 -
16
1
LI1054
Nigam, G. D.; Karak, S.; Saha, C.R.; Srinivasan, S.
A triazine derivative
Acta Crystallographica Section C
1,994
50
4
613
614
10.1107/S0108270193009461
1.5418
CuKα
null
0.039
null
null
0.04
null
null
null
null
null
null
null
null
null
has coordinates
Nigam, G. D.; Karak, S.; Saha, C.R.; Srinivasan, S. A triazine derivative Acta Crystallographica Section C 50(4) (1994) 613-614
194,474
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-03-24 12:00:48 +0200 (Fri, 24 Mar 2017) $ #$Revision: 194474 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/96/2009629.cif $ #-------------------------------------------------------------------...
2,009,630
7.877
0.001
12.6
0.002
14.326
0.002
90
null
96.68
0.01
90
null
1,412.2
0.3
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C15 H12 Br N O4 -
- C15 H12 Br N O4 -
- C60 H48 Br4 N4 O16 -
4
1
LI1062
Chandra Mohan, K.; Ravikumar, K.; Vittal, T. V. S. K.; Gido, C. K.
An intermediate in the synthesis of formoterol
Acta Crystallographica Section C
1,994
50
4
627
629
10.1107/S0108270193009473
0.71063
MoKα
null
0.031
null
null
0.038
null
null
null
null
1.06
1.06
null
null
null
has coordinates
Chandra Mohan, K.; Ravikumar, K.; Vittal, T. V. S. K.; Gido, C. K. An intermediate in the synthesis of formoterol Acta Crystallographica Section C 50(4) (1994) 627-629
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009630.cif $ #-------------------------------------------------------------------...
2,009,631
17.97
0.004
7.418
0.002
17.634
0.006
90
null
116.84
0.02
90
null
2,097.4
1.1
296
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
null
- C10 H13 Cl N2 O -
- C10 H13 Cl N2 O -
- C80 H104 Cl8 N16 O8 -
8
1
LI1063
Yang, Q.-C.; Ni, N.; Xu, X.-J.; Tang, Y.-Q.
1-Benzyl-3-pyrazolidone hydrochloride
Acta Crystallographica Section C
1,994
50
4
648
650
10.1107/S0108270193009485
0.71073
MoKα
null
0.0405
null
null
0.0464
null
null
null
null
1.74
1.74
null
null
null
has coordinates
Yang, Q.-C.; Ni, N.; Xu, X.-J.; Tang, Y.-Q. 1-Benzyl-3-pyrazolidone hydrochloride Acta Crystallographica Section C 50(4) (1994) 648-650
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009631.cif $ #-------------------------------------------------------------------...
2,009,632
6.98
0.02
29.76
0.02
12.491
0.007
90
null
90
null
90
null
2,595
8
298
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
null
- C17 H9 N S -
- C17 H8 N S -
- C136 H64 N8 S8 -
8
1
LI1064
Barrow, M. J.; Milburn, G. H. W.; Zeng, Z.; Sarkar, A.; Talwar, S. S.
1-(3-Quinolyl)-4-(2-thienyl)-1,3-butadiyne, C~17~H~9~NS
Acta Crystallographica Section C
1,994
50
4
650
652
10.1107/S0108270193009497
0.7107
MoKα
null
0.064
null
null
0.065
null
null
null
null
null
null
null
null
null
has coordinates
Barrow, M. J.; Milburn, G. H. W.; Zeng, Z.; Sarkar, A.; Talwar, S. S. 1-(3-Quinolyl)-4-(2-thienyl)-1,3-butadiyne, C~17~H~9~NS Acta Crystallographica Section C 50(4) (1994) 650-652
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/2/00/96/2009632.cif $ #-------------------------------------------------------------------...
2,009,633
11.902
0.006
11.952
0.005
9.38
0.006
90
null
90
null
90
null
1,334
1
293
2
293
2
null
null
null
null
3
P 21 c n
P -2n 2a
33
trans,syn,cis-1-acetoxytricyclo[7.4.0.0^2,7^]tridecan-8-one
- C15 H22 O3 -
- C15 H22 O3 -
- C60 H88 O12 -
4
1
LI1073
Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P.
Stereochemistry of transposition reactions involving polycyclic methylenecyclobutanol derivatives
Acta Crystallographica, Section C: Crystal Structure Communications
1,994
50
4
569
574
10.1107/s0108270193010601
0.7093
MoKα~1~
0.0445
0.0245
null
null
0.0471
null
null
null
0.852
0.976
0.976
null
null
null
has coordinates
Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P. Stereochemistry of transposition reactions involving polycyclic methylenecyclobutanol derivatives Acta Crystallographica, Section C: Crystal Structure Communications 50(4) (1994) 569-574
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009633.cif $ #-------------------------------------------------------------------...
4,321,805
16.297
0.003
26.267
0.003
16.296
0.002
90
null
90.2
0.01
90
null
6,975.8
1.7
298
null
23
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C22 H32 Cd3 N6 O8 S6 -
- C22 H32 Cd3 N6 O8 S6 -
- C176 H256 Cd24 N48 O64 S48 -
8
1
Hong Zhang; Ximin Wang; H. Zhu; W. Xiao; Kecong Zhang; Boon K. Teo
Anisotropic Templating Effect in the Formation of Two-Dimensional Anionic Cadmium-Thiocyanate Coordination Solids [(12C4)2Cd][Cd2(SCN)6] and [(12C4)2Cd][Cd3(SCN)8] with Checkerboard and Herringbone Patterns, Respectively
Inorganic Chemistry
1,999
38
886
892
10.1021/ic980387v
0.7107
MoKalpha
null
0.039
null
null
0.041
null
null
null
null
2.97
2.97
null
null
null
has coordinates
Hong Zhang; Ximin Wang; H. Zhu; W. Xiao; Kecong Zhang; Boon K. Teo Anisotropic Templating Effect in the Formation of Two-Dimensional Anionic Cadmium-Thiocyanate Coordination Solids [(12C4)2Cd][Cd2(SCN)6] and [(12C4)2Cd][Cd3(SCN)8] with Checkerboard and Herringbone Patterns, Respectively Inorganic Chemistry 38 (1999) 88...
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/4/32/18/4321805.cif $ #-------------------------------------------------------------------...
2,009,634
10.769
0.002
15.185
0.002
15.849
0.002
90
null
90.06
0.01
90
null
2,591.7
0.7
293
2
293
2
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
cis,anti,cis-1-acetoxy-7-hydroxytricyclo[7.3.0.0^2,7^]dodecan-8-one
- C14 H20 O4 -
- C14 H20 O4 -
- C112 H160 O32 -
8
2
LI1073
Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P.
Stereochemistry of transposition reactions involving polycyclic methylenecyclobutanol derivatives
Acta Crystallographica, Section C: Crystal Structure Communications
1,994
50
4
569
574
10.1107/s0108270193010601
1.54056
CuKα~1~
0.0966
0.0472
null
0.1265
0.1238
null
null
null
0.817
0.989
0.989
null
null
null
has coordinates
Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P. Stereochemistry of transposition reactions involving polycyclic methylenecyclobutanol derivatives Acta Crystallographica, Section C: Crystal Structure Communications 50(4) (1994) 569-574
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009634.cif $ #-------------------------------------------------------------------...
2,009,635
6.029
0.001
7.708
0.001
30.468
0.005
90
null
94.84
0.02
90
null
1,410.8
0.4
293
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C17 H15 N O3 -
- C17 H15 N O3 -
- C68 H60 N4 O12 -
4
1
MU1049
Ravikumar, K.
Non-steroidal anti-inflammatory drugs. III. Structure of indoprofen: 2-[4-(1-oxo-2-isoindolinyl)phenyl]propionic acid
Acta Crystallographica Section C
1,994
50
4
589
592
10.1107/S0108270193007450
0.71069
MoKα
null
0.062
null
null
0.069
null
null
null
null
1.08
1.08
null
null
null
has coordinates
Ravikumar, K. Non-steroidal anti-inflammatory drugs. III. Structure of indoprofen: 2-[4-(1-oxo-2-isoindolinyl)phenyl]propionic acid Acta Crystallographica Section C 50(4) (1994) 589-592
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009635.cif $ #-------------------------------------------------------------------...
2,009,636
6.89
0.002
15.798
0.004
27.201
0.007
90
null
90
null
90
null
2,960.8
1.4
293
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C16 H11 N3 O4 -
- C16 H11 N3 O4 -
- C128 H88 N24 O32 -
8
2
NA1042
Özbey, S.; Kendi̇, E.; Hocaoglu, N.; Uyar, T.; Mak, T. C. W.; Cascarano, G. L.
2-Methyl-2-(4-nitrophenylazo)-1,3-indandione, C~16~H~11~N~3~O~4~
Acta Crystallographica, Section C: Crystal Structure Communications
1,994
50
4
629
631
10.1107/S0108270193009862
0.7107
MoKα
null
0.043
null
null
0.039
null
null
null
null
1.5
1.5
null
null
null
has coordinates
Özbey, S.; Kendi̇, E.; Hocaoglu, N.; Uyar, T.; Mak, T. C. W.; Cascarano, G. L. 2-Methyl-2-(4-nitrophenylazo)-1,3-indandione, C~16~H~11~N~3~O~4~ Acta Crystallographica, Section C: Crystal Structure Communications 50(4) (1994) 629-631
291,314
2024-04-22
13:06:42
#------------------------------------------------------------------------------ #$Date: 2024-04-22 16:06:40 +0300 (Mon, 22 Apr 2024) $ #$Revision: 291314 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/96/2009636.cif $ #-------------------------------------------------------------------...
2,009,637
18.145
0.001
10.364
0.004
21.596
0.004
90
null
90
null
90
null
4,061.2
1.8
293
null
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
null
- C21 H24 I N O3 -
- C21 H24 I N O3 -
- C168 H192 I8 N8 O24 -
8
1
NA1044
Sabatino, P.; Recanatini, M.; Tumiatti, V.; Melchiorre, C.
Structural studies on the antimuscarinic agents spiro-DAMP and hydroxy-DAMP, and comparison with related compounds
Acta Crystallographica Section C
1,994
50
4
640
645
10.1107/S0108270193010017
0.71069
MoKα
null
0.039
null
null
0.042
null
null
null
null
1.04
1.04
null
null
null
has coordinates
Sabatino, P.; Recanatini, M.; Tumiatti, V.; Melchiorre, C. Structural studies on the antimuscarinic agents spiro-DAMP and hydroxy-DAMP, and comparison with related compounds Acta Crystallographica Section C 50(4) (1994) 640-645
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009637.cif $ #-------------------------------------------------------------------...
4,321,804
8.669
0.003
5.55
0.001
10.456
0.002
90
null
106.8
0.02
90
null
481.6
0.2
297
null
297
null
null
null
null
null
synthesis
4
P 1 21/a 1
-P 2yab
14
copper(I) cyanide/1,4-butanediamine complex
- C6 H12 Cu2 N4 -
- C6 H12 Cu2 N4 -
- C12 H24 Cu4 N8 -
2
0.5
Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton
Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines
Inorganic Chemistry
1,999
38
984
991
10.1021/ic970226b
0.71073
MoKalpha
null
0.028
null
null
0.031
null
null
null
null
1.13
1.13
null
null
null
has coordinates
Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines Inorganic Chemistry 38 (1999) 984-991
179,321
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179321 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/18/4321804.cif $ #-------------------------------------------------------------------...
2,009,638
9.681
0.002
22.465
0.006
10.463
0.005
90
null
113.9
0.2
90
null
2,080
3
293
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
null
- C21 H26 I N O3 -
- C21 H26 I N O3 -
- C84 H104 I4 N4 O12 -
4
1
NA1044
Sabatino, P.; Recanatini, M.; Tumiatti, V.; Melchiorre, C.
Structural studies on the antimuscarinic agents spiro-DAMP and hydroxy-DAMP, and comparison with related compounds
Acta Crystallographica Section C
1,994
50
4
640
645
10.1107/S0108270193010017
0.71069
MoKα
null
0.043
null
null
0.046
null
null
null
null
1.5
1.5
null
null
null
has coordinates
Sabatino, P.; Recanatini, M.; Tumiatti, V.; Melchiorre, C. Structural studies on the antimuscarinic agents spiro-DAMP and hydroxy-DAMP, and comparison with related compounds Acta Crystallographica Section C 50(4) (1994) 640-645
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/96/2009638.cif $ #-------------------------------------------------------------------...