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sigbeta
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gamma
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siggamma
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diffrtemp
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diffrpressure
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pressurehist
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nel
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sg
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sgHall
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sgNumber
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commonname
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chemname
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mineral
string
formula
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calcformula
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cellformula
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Z
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Zprime
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authors
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title
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radType
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wRobs
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wRref
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RI
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1,100,631
9.81
0.003
7.671
0.001
16.541
0.006
90
null
100.51
0.02
90
null
1,223.87
null
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C12 H19 Li N2 O -
- C12 H19 Li2 N3 O -
- C48 H76 Li8 N12 O4 -
4
1
Bosold, F.; Marsch, M.; Harms, K.; Boche, G.
Crystal structure of 1-lithio-1-phenyl-2,2-dimethylhydrazinetetrahydrofuran, [(C~6~H~5~)(CH~3~)~2~N~2~]Li·C~4~H~8~O
Zeitschrift für Kristallographie
1,998
213
1-4
621
622
10.1524/ncrs.1998.213.14.649
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bosold, F.; Marsch, M.; Harms, K.; Boche, G. Crystal structure of 1-lithio-1-phenyl-2,2-dimethylhydrazinetetrahydrofuran, [(C~6~H~5~)(CH~3~)~2~N~2~]Li·C~4~H~8~O Zeitschrift für Kristallographie 213(1-4) (1998) 621-622
178,098
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-10 18:53:46 +0200 (Thu, 10 Mar 2016) $ #$Revision: 178098 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100631.cif $ #-------------------------------------------------------------------...
1,100,632
11.158
0.002
11.798
0.001
12.107
0.002
117.74
0.01
107.02
0.01
98.3
0.01
1,272.54
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C52 H72 Li4 N6 O4 -
- C108 H154 Li8 N12 O8 -
- C108 H154 Li8 N12 O8 -
1
0.5
Bosold, F.; Marsch, M.; Harms, K.; Boche, G.
Crystal structure of bis(1-lithio-1,2-diphenylhydrazine)-1,2-dilithio-1,2-diphenylhydrazine-tetrakis(diethyl ether), [(C~6~H~5~)~2~N~2~Li]~2~[(C~6~H~5~)~2~N~2~Li~2~](C~4~H~10~O)~4~
Zeitschrift für Kristallographie - New Crystal Structures
1,998
213
1-4
623
624
10.1524/ncrs.1998.213.14.651
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bosold, F.; Marsch, M.; Harms, K.; Boche, G. Crystal structure of bis(1-lithio-1,2-diphenylhydrazine)-1,2-dilithio-1,2-diphenylhydrazine-tetrakis(diethyl ether), [(C~6~H~5~)~2~N~2~Li]~2~[(C~6~H~5~)~2~N~2~Li~2~](C~4~H~10~O)~4~ Zeitschrift für Kristallographie - New Crystal Structures 213(1-4) (1998) 623-624
180,581
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-29 15:07:46 +0300 (Tue, 29 Mar 2016) $ #$Revision: 180581 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100632.cif $ #-------------------------------------------------------------------...
1,100,633
12.061
0.001
14.753
0.001
5.643
0.001
90
null
90
null
90
null
1,004.09
null
null
null
null
null
null
null
null
null
4
P 21 21 2
P 2 2ab
18
- C10 H17 N O2 -
- C10 H17 N O2 -
- C40 H68 N4 O8 -
4
1
Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner
Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones
Tetrahedron
1,998
54
13
3181
3196
10.1016/s0040-4020(98)00064-7
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones Tetrahedron 54(13) (1998) 3181-3196
301,773
2025-08-18
12:42:41
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100633.cif $ #-------------------------------------------------------------------...
1,100,634
9.75
0.002
10.525
0.002
15.035
0.003
90
null
90
null
90
null
1,542.87
null
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C17 H24 N2 O -
- C17 H24 N2 O -
- C68 H96 N8 O4 -
4
1
Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner
Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones
Tetrahedron
1,998
54
13
3181
3196
10.1016/s0040-4020(98)00064-7
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones Tetrahedron 54(13) (1998) 3181-3196
301,773
2025-08-18
12:42:41
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100634.cif $ #-------------------------------------------------------------------...
1,100,635
27.276
0.0019
19.7754
0.001
28.4888
0.0017
90
null
90
null
90
null
15,366.7
null
null
null
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C90 H84 N3 P3 Yb2 -
- C90 H84 N3 P3 Yb2 -
- C720 H672 N24 P24 Yb16 -
8
1
Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K.
Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,999
625
11
1853
1859
10.1002/(sici)1521-3749(199911)625:11<1853::aid-zaac1853>3.0.co;2-4
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K. Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm Zeitschrift fuer Anorganische und Allge...
177,956
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-06 18:52:13 +0200 (Sun, 06 Mar 2016) $ #$Revision: 177956 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100635.cif $ #-------------------------------------------------------------------...
1,100,636
14.6903
0.0011
12.3408
0.0009
27.615
0.002
90
null
93.196
0.01
90
null
4,998.54
null
null
null
null
null
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C114 H114 N4 O2 P4 Si2 Y2 -
- C200 H196 N8 O4 P8 Si4 Y4 -
- C400 H392 N16 O8 P16 Si8 Y8 -
2
0.5
Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K.
Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,999
625
11
1853
1859
10.1002/(sici)1521-3749(199911)625:11<1853::aid-zaac1853>3.0.co;2-4
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K. Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm Zeitschrift fuer Anorganische und Allge...
177,956
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-06 18:52:13 +0200 (Sun, 06 Mar 2016) $ #$Revision: 177956 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100636.cif $ #-------------------------------------------------------------------...
1,100,637
18.0406
0.0015
14.0182
0.0008
22.2165
0.0016
90
null
98.716
0.009
90
null
5,553.6
null
null
null
null
null
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C126 H118 N6 O2 P6 Si2 Y2 -
- C238 H220 N12 O4 P12 Si4 Y4 -
- C476 H440 N24 O8 P24 Si8 Y8 -
2
0.5
Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K.
Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,999
625
11
1853
1859
10.1002/(sici)1521-3749(199911)625:11<1853::aid-zaac1853>3.0.co;2-4
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K. Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm Zeitschrift fuer Anorganische und Allge...
177,956
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-06 18:52:13 +0200 (Sun, 06 Mar 2016) $ #$Revision: 177956 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100637.cif $ #-------------------------------------------------------------------...
1,100,638
13.6337
0.0011
13.6488
0.0009
16.5061
0.0012
112.457
0.008
91.948
0.009
114.974
0.008
2,502.3
null
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C112 H102 N6 O2 P6 Si2 Sm2 -
- C224 H204 N12 O4 P12 Si4 Sm4 -
- C224 H204 N12 O4 P12 Si4 Sm4 -
1
0.5
Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K.
Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,999
625
11
1853
1859
10.1002/(sici)1521-3749(199911)625:11<1853::aid-zaac1853>3.0.co;2-4
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K. Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm Zeitschrift fuer Anorganische und Allge...
177,956
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-06 18:52:13 +0200 (Sun, 06 Mar 2016) $ #$Revision: 177956 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100638.cif $ #-------------------------------------------------------------------...
1,100,639
10.4739
0.0008
10.0858
0.0008
14.5229
0.0014
90
null
93.919
0.007
90
null
1,530.58
null
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C18 H15 Cl N P -
- C18 H15 Cl N P -
- C72 H60 Cl4 N4 P4 -
4
1
Grebe, Jutta; Schlecht, Sabine; Weller, Frank; Harms, Klaus; Geiseler, Gertraud; Dehnicke, Kurt
N-Chlortriphenylphosphanimin und seine Anwendung als Edukt zur Synthese asymmetrischer PNP-Kationen. Kristallstrukturen von Ph~3~PNCl und [Ph~3~PNPEt~3~]Cl
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,999
625
4
633
636
10.1002/(sici)1521-3749(199904)625:4<633::aid-zaac633>3.0.co;2-2
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Grebe, Jutta; Schlecht, Sabine; Weller, Frank; Harms, Klaus; Geiseler, Gertraud; Dehnicke, Kurt N-Chlortriphenylphosphanimin und seine Anwendung als Edukt zur Synthese asymmetrischer PNP-Kationen. Kristallstrukturen von Ph~3~PNCl und [Ph~3~PNPEt~3~]Cl Zeitschrift fuer Anorganische und Allgemeine Chemie 625(4) (1999) 63...
301,773
2025-08-18
12:42:41
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100639.cif $ #-------------------------------------------------------------------...
1,100,640
10.035
0.001
8.896
0.001
25.643
0.001
90
null
91.94
0.01
90
null
2,287.87
null
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C24 H30 Cl N P2 -
- C24 H30 Cl N P2 -
- C96 H120 Cl4 N4 P8 -
4
1
Grebe, Jutta; Schlecht, Sabine; Weller, Frank; Harms, Klaus; Geiseler, Gertraud; Dehnicke, Kurt
N-Chlortriphenylphosphanimin und seine Anwendung als Edukt zur Synthese asymmetrischer PNP-Kationen. Kristallstrukturen von Ph~3~PNCl und [Ph~3~PNPEt~3~]Cl
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,999
625
4
633
636
10.1002/(sici)1521-3749(199904)625:4<633::aid-zaac633>3.0.co;2-2
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Grebe, Jutta; Schlecht, Sabine; Weller, Frank; Harms, Klaus; Geiseler, Gertraud; Dehnicke, Kurt N-Chlortriphenylphosphanimin und seine Anwendung als Edukt zur Synthese asymmetrischer PNP-Kationen. Kristallstrukturen von Ph~3~PNCl und [Ph~3~PNPEt~3~]Cl Zeitschrift fuer Anorganische und Allgemeine Chemie 625(4) (1999) 63...
301,773
2025-08-18
12:42:41
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100640.cif $ #-------------------------------------------------------------------...
1,100,641
15.374
0.002
16.636
0.002
16.721
0.004
90
null
107.13
0.01
90
null
4,086.88
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C60 H44 B Cr -
- C60 H44 B Cr -
- C240 H176 B4 Cr4 -
4
1
Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus
Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands
European Journal of Inorganic Chemistry
1,998
1,998
10
1391
1401
10.1002/(sici)1099-0682(199810)1998:10<1391::aid-ejic1391>3.0.co;2-6
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands European Journal of Inorganic Chemistry 1998(10) (1998) 1391-1401
301,773
2025-08-18
12:42:41
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100641.cif $ #-------------------------------------------------------------------...
1,100,642
21.637
0.001
26.975
0.002
17.521
0.001
90
null
90
null
90
null
10,226.3
null
null
null
null
null
null
null
null
null
5
F d d 2
F 2 -2d
43
- C33.5 H23 Cr I O0.5 -
- C34.5 H26 Cr I O0.5 -
- C552 H416 Cr16 I16 O8 -
16
1
Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus
Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands
European Journal of Inorganic Chemistry
1,998
1,998
10
1391
1401
10.1002/(sici)1099-0682(199810)1998:10<1391::aid-ejic1391>3.0.co;2-6
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands European Journal of Inorganic Chemistry 1998(10) (1998) 1391-1401
177,585
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-05 02:54:16 +0200 (Sat, 05 Mar 2016) $ #$Revision: 177585 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100642.cif $ #-------------------------------------------------------------------...
1,100,643
22.3915
0.0015
10.1812
0.0008
10.4478
0.0011
90
null
90
null
90
null
2,381.81
null
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
- C32 H20 Cr I -
- C60 H40 Cr I -
- C240 H160 Cr4 I4 -
4
0.5
Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus
Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands
European Journal of Inorganic Chemistry
1,998
1,998
10
1391
1401
10.1002/(sici)1099-0682(199810)1998:10<1391::aid-ejic1391>3.0.co;2-6
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands European Journal of Inorganic Chemistry 1998(10) (1998) 1391-1401
177,585
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-05 02:54:16 +0200 (Sat, 05 Mar 2016) $ #$Revision: 177585 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100643.cif $ #-------------------------------------------------------------------...
1,100,644
8.6024
0.0018
10.1643
0.0015
10.2254
0.0013
86.61
0.009
79.601
0.013
69.707
0.009
824.81
null
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C30 H40 Cl2 N2 O6 Zn2 -
- C52 H64 Cl4 N4 O10 Zn4 -
- C52 H64 Cl4 N4 O10 Zn4 -
1
0.5
Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W.
Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles
Chemistry - A European Journal
1,998
4
5
814
817
10.1002/(sici)1521-3765(19980515)4:5<814::aid-chem814>3.0.co;2-f
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W. Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles Chemistry - A European Journal 4(5) (1998) 814-817
177,970
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-07 02:04:21 +0200 (Mon, 07 Mar 2016) $ #$Revision: 177970 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100644.cif $ #-------------------------------------------------------------------...
1,100,645
8.0799
0.0013
12.969
0.0015
14.451
0.0018
90
null
90
null
90
null
1,514.29
null
null
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
- C15 H21 N O4 S -
- C15 H21 N O4 S -
- C60 H84 N4 O16 S4 -
4
1
Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus
Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone
European Journal of Organic Chemistry
1,999
1,999
11
2977
2990
10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone European Journal of Organic Chemistry 1999(11) (1999) 2977-2990
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100645.cif $ #-------------------------------------------------------------------...
1,100,646
8.455
0.001
11.6555
0.001
14.3828
0.001
90
null
90
null
90
null
1,417.39
null
null
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
- C14 H19 N O4 S -
- C14 H19 N O4 S -
- C56 H76 N4 O16 S4 -
4
1
Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus
Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone
European Journal of Organic Chemistry
1,999
1,999
11
2977
2990
10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone European Journal of Organic Chemistry 1999(11) (1999) 2977-2990
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100646.cif $ #-------------------------------------------------------------------...
1,100,647
7.623
0.001
9.913
0.001
9.624
0.001
90
null
95.9
0.01
90
null
723.4
null
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C12 H21 N O5 -
- C12 H21 N O5 -
- C24 H42 N2 O10 -
2
1
Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus
Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone
European Journal of Organic Chemistry
1,999
1,999
11
2977
2990
10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone European Journal of Organic Chemistry 1999(11) (1999) 2977-2990
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100647.cif $ #-------------------------------------------------------------------...
1,100,648
8.6269
0.0007
9.251
0.002
9.789
0.001
90
null
106.459
0.008
90
null
749.22
null
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C12 H21 N O5 -
- C12 H21 N O5 -
- C24 H42 N2 O10 -
2
1
Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus
Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone
European Journal of Organic Chemistry
1,999
1,999
11
2977
2990
10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone European Journal of Organic Chemistry 1999(11) (1999) 2977-2990
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100648.cif $ #-------------------------------------------------------------------...
1,100,649
15.625
0.004
23.028
0.006
7.685
0.002
90
null
90
null
90
null
2,765
1
123.2
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
61
- C15 H14 F3 N3 -
- C15 H14 F3 N3 -
- C120 H112 F24 N24 -
8
1
Chizuru, Sasaki; Soh-ichi, Kitoh; Kazuya, Yamada; Ko-Ki, Kunimoto; Shiro, Maeda; Akio, Kuwae; Kazuhiko, Hanai
Crystal Structure of 2-Trifluoromethyl-4'-dimethylaminoazobenzene
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x1
x2
10.2116/analscix.19.x1
0.7107
MoKα
null
0.0486
null
null
null
0.0701
null
null
null
null
null
0.979
null
null
has coordinates
Chizuru, Sasaki; Soh-ichi, Kitoh; Kazuya, Yamada; Ko-Ki, Kunimoto; Shiro, Maeda; Akio, Kuwae; Kazuhiko, Hanai Crystal Structure of 2-Trifluoromethyl-4'-dimethylaminoazobenzene Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x1-x2
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100649.cif $ #-------------------------------------------------------------------...
1,100,650
14.21
0.01
6.28
0.01
8.73
0.01
90
null
90
null
90
null
778
2
296.2
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C8 H8 N2 O2 -
- C8 H8 N2 O2 -
- C32 H32 N8 O8 -
4
1
Azumaya, Isao; Okamoto, Iwao; Takayanagi, Hiroaki
Spontaneous Optical Resolution of 1,2-Bis(formylamino)benzene in Crystals
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x3
x4
10.2116/analscix.19.x3
1.5418
CuKα
null
0.0606
null
null
null
0.0984
null
null
null
null
null
1.307
null
null
has coordinates
Azumaya, Isao; Okamoto, Iwao; Takayanagi, Hiroaki Spontaneous Optical Resolution of 1,2-Bis(formylamino)benzene in Crystals Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x3-x4
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100650.cif $ #-------------------------------------------------------------------...
1,100,651
4.373
0.002
10.654
0.006
20.05
0.01
90
null
92.92
0.02
90
null
933.2
0.9
116
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C9 H6 F4 N2 -
- C9 H6 F4 N2 -
- C36 H24 F16 N8 -
4
1
Ryoichi, Nakagaki; Shigeru, Kohtani; Yuko, Nakamura; Michiyo, Okamura; Soh-ichi, Kitoh; Ko-Ki, Kunimoto
Crystal Structure of 4-N,N-Dimethylamino-2,3,5,6-tetrafluorobenzonitrile
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x5
x6
10.2116/analscix.19.x5
0.7107
MoKα
null
0.0726
null
null
null
0.089
null
null
null
null
null
1.631
null
null
has coordinates
Ryoichi, Nakagaki; Shigeru, Kohtani; Yuko, Nakamura; Michiyo, Okamura; Soh-ichi, Kitoh; Ko-Ki, Kunimoto Crystal Structure of 4-N,N-Dimethylamino-2,3,5,6-tetrafluorobenzonitrile Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x5-x6
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100651.cif $ #-------------------------------------------------------------------...
1,100,652
14.5558
0.0005
30.2416
0.0006
6.2872
0.0003
90
null
90
null
90
null
2,767.6
0.2
296.2
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C28 H50 O3 -
- C28 H50 O3 -
- C112 H200 O12 -
4
1
Fujii, Isao; Hirayama, Noriaki
Structure of 7-α-hydroxycholesterol
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x7
x8
10.2116/analscix.19.x7
1.5418
CuKα
null
0.0676
null
null
null
0.1447
null
null
null
null
null
1.546
null
null
has coordinates
Fujii, Isao; Hirayama, Noriaki Structure of 7-α-hydroxycholesterol Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x7-x8
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100652.cif $ #-------------------------------------------------------------------...
1,100,653
10.214
0.001
12.734
0.005
16.062
0.002
84.74
0.02
87.84
0.01
75.77
0.02
2,016.2
0.9
296
2
296
2
null
null
null
null
3
P -1
-P 1
2
- C44 H54 O9 -
- C44 H54 O9 -
- C88 H108 O18 -
2
1
Guillon, Jean; Leger, Jean-Michel; Sonnet, Pascal; Jarry, Christian
Crystal Structure of 25-(2-tert-Butoxyethoxy)-27-hydroxycalix[4]arene-crown-6 in the Cone Conformation
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x9
x10
10.2116/analscix.19.x9
1.54178
CuKα
0.1052
0.088
null
null
0.2599
0.2807
null
null
null
null
null
1.069
null
null
has coordinates
Guillon, Jean; Leger, Jean-Michel; Sonnet, Pascal; Jarry, Christian Crystal Structure of 25-(2-tert-Butoxyethoxy)-27-hydroxycalix[4]arene-crown-6 in the Cone Conformation Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x9-x10
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100653.cif $ #-------------------------------------------------------------------...
1,100,654
8.4053
0.0006
22.1236
0.0016
17.1548
0.0012
90
null
100.903
0.001
90
null
3,132.4
0.4
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Enoxacin
1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazin-yl)-1,8-naphthyridine-3-carboxylic acid
- C31 H44 F2 N8 O10 -
- C31 F2 N8 O10 -
- C124 F8 N32 O40 -
4
1
Yoon, I.; Park, K.-M.; Bark, K.-M.; Yang, M. S.; Lee, S. S.
Crystal Structure of a Fluoroquinolone Antibiotic, Enoxacin
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x11
x12
10.2116/analscix.19.x11
null
null
0.0683
null
null
0.224
null
null
null
null
null
null
null
null
null
has coordinates
Yoon, I.; Park, K.-M.; Bark, K.-M.; Yang, M. S.; Lee, S. S. Crystal Structure of a Fluoroquinolone Antibiotic, Enoxacin Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x11-x12
176,428
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100654.cif $ #-------------------------------------------------------------------...
1,100,655
15.878
0.004
22.125
0.005
7.9029
0.0019
90
null
90
null
90
null
2,776.3
1.2
293
2
293
2
null
null
null
null
3
P c c n
-P 2ab 2ac
56
- C14 H17 N5 -
- C14 H17 N5 -
- C112 H136 N40 -
8
1
Hansongnern, Kanidtha; Tempiam, Sansanee; Liou, Jian-Cheng; Liao, Fen-Ling; Lu, Tian-Huey
Crystal Structure of 2-(4'-N,N-Diethylaminophenylazo)pyrimidine
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x13
x14
10.2116/analscix.19.x13
0.71073
MoKα
0.1696
0.0595
null
null
0.1081
0.1253
null
null
null
null
null
0.822
null
null
has coordinates,has disorder
Hansongnern, Kanidtha; Tempiam, Sansanee; Liou, Jian-Cheng; Liao, Fen-Ling; Lu, Tian-Huey Crystal Structure of 2-(4'-N,N-Diethylaminophenylazo)pyrimidine Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x13-x14
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100655.cif $ #-------------------------------------------------------------------...
1,100,656
10.104
0.002
32.447
0.001
6.014
0.001
90
null
90
null
90
null
1,971.7
0.5
123.2
null
null
null
null
null
null
null
5
P 21 21 2
P 2 2ab
18
- C10 H11 N O S -
- C10 H11 N O S -
- C80 H88 N8 O8 S8 -
8
2
Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki
Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x15
x16
10.2116/analscix.19.x15
0.7107
MoKα
null
0.0268
null
null
null
0.0398
null
null
null
null
null
1.115
null
null
has coordinates
Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x15-x16
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100656.cif $ #-------------------------------------------------------------------...
1,100,657
27.238
0.004
6.0517
0.0008
11.726
0.003
90
null
99.433
0.001
90
null
1,906.7
0.6
123.2
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C10 H11 N O S -
- C10 H11 N O S -
- C80 H88 N8 O8 S8 -
8
1
Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki
Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x15
x16
10.2116/analscix.19.x15
0.7107
MoKα
null
0.0279
null
null
null
0.0341
null
null
null
null
null
0.93
null
null
has coordinates
Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x15-x16
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100657.cif $ #-------------------------------------------------------------------...
1,100,658
7.251
null
13.195
0.001
9.835
0.001
90
null
101.94
null
90
null
920.62
0.12
293
2
293
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
imidazole
2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde
- C8 H11 Cl N2 O -
- C8 H11 Cl N2 O -
- C32 H44 Cl4 N8 O4 -
4
1
Doreswamy, Beeranahally H.; Basappa; Mahendra, Madegowda; Mantelingu, Kempegowda; Anandalwar, Sridhar M.; Prasad, Javaregowda S.; Rangappa, Kanchugarakoppal S.
Microwave-Assisted Synthesis and Crystal Structure of 2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x31
x32
10.2116/analscix.19.x31
x-ray
0.71073
MoKα
0.0798
0.0651
null
null
0.189
0.2167
null
null
null
null
null
1.064
null
null
has coordinates
Doreswamy, Beeranahally H.; Basappa; Mahendra, Madegowda; Mantelingu, Kempegowda; Anandalwar, Sridhar M.; Prasad, Javaregowda S.; Rangappa, Kanchugarakoppal S. Microwave-Assisted Synthesis and Crystal Structure of 2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde Analytical Sciences: X-ray Structure Analysis Online 19 (20...
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100658.cif $ #-------------------------------------------------------------------...
1,100,659
13.409
0.0005
13.409
0.0005
13.81
0.0004
90
null
90
null
90
null
2,483.1
0.1
null
null
null
null
null
null
null
null
6
P 41 21 2
P 4abw 2nw
92
Tetrathiourea Copper (II) chloride
Tetrathiourea Copper (II) chloride
- C3 H12 Cl Cu N6 S3 -
- C3 Cl Cu N6 S3 -
- C24 Cl8 Cu8 N48 S24 -
8
1
Lakshmi, S.; Sridhar, M. A.; Prasad, J. S.; Srinivasan, V.; Kandhaswamy, M. A.; Dhandapani, M.
Synthesis and Structural Analysis of Tetrathioureacopper(I) Chloride
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x19
x20
10.2116/analscix.19.x19
null
null
0.0362
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lakshmi, S.; Sridhar, M. A.; Prasad, J. S.; Srinivasan, V.; Kandhaswamy, M. A.; Dhandapani, M. Synthesis and Structural Analysis of Tetrathioureacopper(I) Chloride Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x19-x20
175,113
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-27 04:56:07 +0200 (Wed, 27 Jan 2016) $ #$Revision: 175113 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100659.cif $ #-------------------------------------------------------------------...
1,100,660
26.0133
0.0006
26.0133
0.0006
15.898
0.0008
90
null
90
null
90
null
10,758
0.6
293.1
null
null
null
null
null
null
null
4
I 41/a :2
-I 4ad
88
- C26 H41 N3 O5 -
- C26 H41 N3 O5 -
- C416 H656 N48 O80 -
16
1
Akimoto, Toshio; Hirayama, Noriaki
Crystal Structure of Ciclopirox Olamine
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x21
x22
10.2116/analscix.19.x21
1.5419
CuKα
null
0.068
null
null
null
0.141
null
null
null
null
null
1.293
null
null
has coordinates
Akimoto, Toshio; Hirayama, Noriaki Crystal Structure of Ciclopirox Olamine Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x21-x22
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100660.cif $ #-------------------------------------------------------------------...
1,100,661
8.279
0.001
14.843
0.002
5.959
0.001
97.02
0.01
102.75
0.01
100.52
0.01
692.05
0.17
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
- C16 H17 N O2 -
- C16 H17 N O2 -
- C32 H34 N2 O4 -
2
1
Aygün, Muhittin; Akkus, Nilgün; Güven, Kutalmş; Akgüngör, Kadir
Crystal Structure of 4-Ethoxy-N-(o-hydroxyacetophenolidene)aniline
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x23
x24
10.2116/analscix.19.x23
0.71069
MoKα
0.1198
0.0411
null
null
0.1169
0.1595
null
null
null
null
null
1.009
null
null
has coordinates
Aygün, Muhittin; Akkus, Nilgün; Güven, Kutalmş; Akgüngör, Kadir Crystal Structure of 4-Ethoxy-N-(o-hydroxyacetophenolidene)aniline Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x23-x24
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100661.cif $ #-------------------------------------------------------------------...
1,100,662
10.0901
0.0006
11.776
0.0007
18.82
0.0007
74.054
0.002
81.034
0.003
88.4315
0.0007
2,123.6
0.2
296.1
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C23 H23 N O5 S -
- C23 H23 N O5 S -
- C92 H92 N4 O20 S4 -
4
2
Akimoto, Toshio; Hirayama, Noriaki
Crystal Structure of Ketotifen Fumarate
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x25
x26
10.2116/analscix.19.x25
1.5418
CuKα
null
0.068
null
null
null
0.172
null
null
null
null
null
0.97
null
null
has coordinates
Akimoto, Toshio; Hirayama, Noriaki Crystal Structure of Ketotifen Fumarate Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x25-x26
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100662.cif $ #-------------------------------------------------------------------...
1,100,663
13.5608
0.0008
7.2782
0.0009
8.6423
0.0005
90
null
90
null
90
null
853
0.1
293.2
null
null
null
null
null
null
null
6
P m n 21
P 2ac -2
31
- C16 H24 Cl N3 S Zn -
- C16 H24 Cl N3 S Zn -
- C32 H48 Cl2 N6 S2 Zn2 -
2
0.5
Kurosaki, Hiromasa; Tawada, Toshiaki; Kawasoe, Satomi; Ohashi, Yoko; Goto, Masafumi
Crystal Structure of Chloro{N-mercaptoethyl[bis(6-methyl-2-pyridylmethyl)amine]}zinc(II) complex
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x27
x28
10.2116/analscix.19.x27
0.7107
MoKα
null
0.0534
null
null
null
0.0308
null
null
null
null
null
320.49
null
null
has coordinates
Kurosaki, Hiromasa; Tawada, Toshiaki; Kawasoe, Satomi; Ohashi, Yoko; Goto, Masafumi Crystal Structure of Chloro{N-mercaptoethyl[bis(6-methyl-2-pyridylmethyl)amine]}zinc(II) complex Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x27-x28
175,153
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-27 17:27:09 +0200 (Wed, 27 Jan 2016) $ #$Revision: 175153 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100663.cif $ #-------------------------------------------------------------------...
1,100,664
5.882
0.0005
12.104
0.0005
30.58
0.003
90
null
90
null
90
null
2,177.2
0.3
293
null
293
null
null
null
null
null
3
P b c a
-P 2ac 2ab
61
- C14 H12 O2 -
- C14 H12 O2 -
- C112 H96 O16 -
8
1
Mahendra, M.; Doreswamy, B. H.; Khanum, S. A.; Shashikanth, S.; Sudha, B. S.; Sridhar, M. A.; Prasad, J. S.
Synthesis and Crystal Structure of (2-Hydroxy-5-methyl phenyl)phenyl Methanone
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x29
x30
10.2116/analscix.19.x29
x-ray
0.71073
MoKα
0.0786
0.059
null
null
0.1965
0.2227
null
null
null
null
null
1.057
null
null
has coordinates
Mahendra, M.; Doreswamy, B. H.; Khanum, S. A.; Shashikanth, S.; Sudha, B. S.; Sridhar, M. A.; Prasad, J. S. Synthesis and Crystal Structure of (2-Hydroxy-5-methyl phenyl)phenyl Methanone Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x29-x30
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100664.cif $ #-------------------------------------------------------------------...
1,100,665
7.251
null
13.195
0.001
9.835
0.001
90
null
101.94
null
90
null
920.62
0.12
null
null
293
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
imidazole
2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde
- C8 H11 Cl N2 O -
- C8 H11 Cl N2 O -
- C32 H44 Cl4 N8 O4 -
4
1
Doreswamy, Beeranahally H.; Basappa; Mahendra, Madegowda; Mantelingu, Kempegowda; Anandalwar, Sridhar M.; Prasad, Javaregowda S.; Rangappa, Kanchugarakoppal S.
Microwave-Assisted Synthesis and Crystal Structure of 2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x31
x32
10.2116/analscix.19.x31
x-ray
0.71073
MoKα
0.0798
0.0651
null
null
0.189
0.2167
null
null
null
null
null
1.064
1,100,658
null
has coordinates
Doreswamy, Beeranahally H.; Basappa; Mahendra, Madegowda; Mantelingu, Kempegowda; Anandalwar, Sridhar M.; Prasad, Javaregowda S.; Rangappa, Kanchugarakoppal S. Microwave-Assisted Synthesis and Crystal Structure of 2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde Analytical Sciences: X-ray Structure Analysis Online 19 (20...
176,428
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100665.cif $ #-------------------------------------------------------------------...
1,100,666
7.916
0.001
15.736
0.002
8.737
0.0008
90
null
108.11
0.006
90
null
1,034.4
0.2
293
null
293
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- C12 H10 O4 -
- C12 H10 O4 -
- C48 H40 O16 -
4
1
Mahendra, Madegowda; Doreswamy, Beeranahally H.; Sridhar, Mandayam A.; Prasad, Javaregowda S.; Narodia, Vishal P.; Naliapara, Yogesh T.; Shah, Anamik
Crystal Structure of Ethyl-2H-1-benzopyran-2-oxo-3-carboxylate
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x33
x34
10.2116/analscix.19.x33
x-ray
0.71073
MoKα
0.0902
0.0696
null
null
0.1966
0.2325
null
null
null
null
null
1.111
null
null
has coordinates
Mahendra, Madegowda; Doreswamy, Beeranahally H.; Sridhar, Mandayam A.; Prasad, Javaregowda S.; Narodia, Vishal P.; Naliapara, Yogesh T.; Shah, Anamik Crystal Structure of Ethyl-2H-1-benzopyran-2-oxo-3-carboxylate Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x33-x34
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100666.cif $ #-------------------------------------------------------------------...
1,100,667
17.202
0.002
7.9139
0.0009
16.507
0.003
90
null
94.716
0.009
90
null
2,239.5
0.5
296.1
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C6 H6 Cl2 N2 O4 S2 -
- C6 H6 Cl2 N2 O4 S2 -
- C48 H48 Cl16 N16 O32 S16 -
8
1
Haramura, Masayuki; Yanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki
Crystal Structure of Dichlorphenamide
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x35
x36
10.2116/analscix.19.x35
1.5419
CuKα
null
0.037
null
null
null
0.091
null
null
null
null
null
1.093
null
null
has coordinates
Haramura, Masayuki; Yanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki Crystal Structure of Dichlorphenamide Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x35-x36
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100667.cif $ #-------------------------------------------------------------------...
1,100,668
7.6961
0.0003
14.6036
0.0005
10.4355
0.0005
90
null
95.739
0.002
90
null
1,166.98
0.08
293.1
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C25 H32 Cl F O5 -
- C25 H32 Cl F O5 -
- C50 H64 Cl2 F2 O10 -
2
1
Haramura, Masayuki; Tanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki
Crystal Structure of Clobetasol Propionate
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x37
x38
10.2116/analscix.19.x37
1.5419
CuKα
null
0.038
null
null
null
0.091
null
null
null
null
null
0.985
null
null
has coordinates
Haramura, Masayuki; Tanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki Crystal Structure of Clobetasol Propionate Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x37-x38
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100668.cif $ #-------------------------------------------------------------------...
1,100,669
10.237
0.001
18.754
0.002
16.566
0.002
90
null
106.257
0.004
90
null
3,053.3
0.5
173.1
null
null
null
null
null
null
null
8
P 1 21/n 1
-P 2yn
14
- C29 H22 Cl F6 N3 O2 P2 Ru -
- C29 H22 Cl F6 N3 O2 P2 Ru -
- C116 H88 Cl4 F24 N12 O8 P8 Ru4 -
4
1
Ooyama, Dai; Sato, Masahito
Crystal Structure of (2,2'-Bipyridine-N,N')(diphenyl-2-phosphinopyridine-P)-chloro(dicarbonyl)ruthenium(II) Hexafluorophosphate
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x39
x40
10.2116/analscix.19.x39
0.7107
MoKα
null
0.0341
null
null
null
0.0794
null
null
null
null
null
1.354
null
null
has coordinates
Ooyama, Dai; Sato, Masahito Crystal Structure of (2,2'-Bipyridine-N,N')(diphenyl-2-phosphinopyridine-P)-chloro(dicarbonyl)ruthenium(II) Hexafluorophosphate Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x39-x40
176,429
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100669.cif $ #-------------------------------------------------------------------...
1,100,670
10.2822
0.0017
10.9006
0.0018
8.8072
0.0015
90
null
100.148
0.003
90
null
971.7
0.3
293
2
273
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
4-(2-Aminothiazol-4-yl)-4-(hydroxyimino)acetic ester
- C7 H9 N3 O3 S -
- C7 H9 N3 O3 S -
- C28 H36 N12 O12 S4 -
4
1
Miao, Qian; Jin, Zhi-Min; Xiong, Jing; Hu, Mao-Lin
Crystal Structure of 4-(2-Aminothiazol-4-yl)-4-(hydroxyimino)acetic ester
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x41
x42
10.2116/analscix.19.x41
0.71073
MoKα
0.0635
0.0501
null
null
0.1298
0.1357
null
null
null
null
null
0.974
null
null
has coordinates
Miao, Qian; Jin, Zhi-Min; Xiong, Jing; Hu, Mao-Lin Crystal Structure of 4-(2-Aminothiazol-4-yl)-4-(hydroxyimino)acetic ester Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x41-x42
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100670.cif $ #-------------------------------------------------------------------...
1,100,671
7.181
0.002
11.123
0.004
11.686
0.004
65.101
0.01
87.6
0.02
71.91
0.009
800.5
0.4
113.2
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C17 H14 Cl N O5 -
- C17 H14 Cl N O5 -
- C34 H28 Cl2 N2 O10 -
2
1
Shimo, Tetsuro; Kamimura, Kazutaka; Nogita, Rika; Yasutake, Mikio; Shinmyozu, Teruo; Somekawa, Kenichi
Crystal Structure of 1:1 Complex Crystal between 4-(3-Chlorobenzyloxy)-6-methyl-2-pyrone and Maleimide
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x43
x44
10.2116/analscix.19.x43
0.7107
MoKα
null
0.0565
null
null
null
0.0816
null
null
null
null
null
1.28
null
null
has coordinates
Shimo, Tetsuro; Kamimura, Kazutaka; Nogita, Rika; Yasutake, Mikio; Shinmyozu, Teruo; Somekawa, Kenichi Crystal Structure of 1:1 Complex Crystal between 4-(3-Chlorobenzyloxy)-6-methyl-2-pyrone and Maleimide Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x43-x44
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100671.cif $ #-------------------------------------------------------------------...
7,015,153
8.6756
0.001
14.178
0.0013
17.316
0.002
90
null
93.068
0.008
90
null
2,126.9
0.4
100
2
100
2
null
null
null
null
6
P 1 21 1
P 2yb
4
- C18 H24 N6 Ni O2 S2 -
- C18 H24 N6 Ni O2 S2 -
- C72 H96 N24 Ni4 O8 S8 -
4
2
Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu
Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3219
3228
10.1039/c0dt01291b
0.71073
MoKα
0.0312
0.0312
null
null
0.0912
0.0912
null
null
null
null
null
1.193
null
null
has coordinates
Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes. ...
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015153.cif $ #-------------------------------------------------------------------...
1,100,672
16.152
0.006
10.127
0.005
11.45
0.005
90
null
105.48
0.03
90
null
1,805
1.3
293
2
293
2
null
null
null
null
6
P 1 21/a 1
-P 2yab
14
5-chloro-2-methyl-4-isothiazoline-3-one and 4,4'-ethylidenebisphenol
5-chloro-2-methyl-4-isothiazoline-3-one 4,4'-ethane-1,1-diyldiphenol
- C18 H18 Cl N O3 S -
- C18 H18 Cl N O3 S -
- C72 H72 Cl4 N4 O12 S4 -
4
1
Sekine, Akiko; Jomoto, Kohei; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru
Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x45
x46
10.2116/analscix.19.x45
0.71069
MoKα
0.1098
0.052
null
null
0.1251
0.146
null
null
null
null
null
1.028
null
null
has coordinates,has disorder
Sekine, Akiko; Jomoto, Kohei; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x45-x46
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100672.cif $ #-------------------------------------------------------------------...
1,100,673
12.402
0.002
10.257
0.002
11.295
0.003
90
null
96.856
0.01
90
null
1,426.5
0.5
296
2
296
2
null
null
null
null
6
P 1 21/a 1
-P 2yab
14
CMI gallate
5-chloro-2-methylisothiazol-3(2H)-one methyl 1,3,4,5-trihydroxybenzoate
- C12 H12 Cl N O6 S -
- C12 H12 Cl N O6 S -
- C48 H48 Cl4 N4 O24 S4 -
4
1
Sekine, Akiko; Mitsumori, Takahiro; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru
Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x47
x48
10.2116/analscix.19.x47
0.71073
MoKα
0.0649
0.0392
null
null
0.1096
0.1251
null
null
null
null
null
0.913
null
null
has coordinates
Sekine, Akiko; Mitsumori, Takahiro; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x47-x48
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100673.cif $ #-------------------------------------------------------------------...
1,100,674
15.456
0.003
9.993
0.002
21.691
0.002
90
null
103.23
0.01
90
null
3,261
1
293.2
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C74 H74 N10 O2 P2 Zn2 -
- C74 H74 N10 O2 P2 Zn2 -
- C148 H148 N20 O4 P4 Zn4 -
2
0.5
Shen, Xuan; Sakata, Kazunori; Hashimoto, Mamoru
Crystal Structure of a Dinuclear 1,2-Bis(diphenylphosphinooxide)ethane-bridged (6,8,15,17-Tetramethyldibenzo[b,i][1,4,8,11]-tetraazacyclotetradecinato) zinc(II) Complex
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x49
x50
10.2116/analscix.19.x49
0.7107
MoKα
null
0.048
null
null
null
0.1567
null
null
null
null
null
1.022
null
null
has coordinates
Shen, Xuan; Sakata, Kazunori; Hashimoto, Mamoru Crystal Structure of a Dinuclear 1,2-Bis(diphenylphosphinooxide)ethane-bridged (6,8,15,17-Tetramethyldibenzo[b,i][1,4,8,11]-tetraazacyclotetradecinato) zinc(II) Complex Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x49-x50
175,028
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-25 15:55:48 +0200 (Mon, 25 Jan 2016) $ #$Revision: 175028 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100674.cif $ #-------------------------------------------------------------------...
1,100,675
21.724
0.0017
7.9633
0.0006
13.6074
0.0011
90
null
95.924
0.001
90
null
2,341.4
0.3
90
0.2
90
0.2
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
5hthalid
5'-Hydroxythalidomide
- C13 H10 N2 O5 -
- C13 H10 N2 O5 -
- C104 H80 N16 O40 -
8
1
Doi, Mitsunobu; Ijiri, Yoshio; Akagi, Masao; Uenishi, Miharu; Urata, Hidehito
Crystal Structure of 5'-Hydroxythalidomide In Vivo Metabolite of Thalidomide in Humans
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x51
x52
10.2116/analscix.19.x51
0.71073
MoKα
0.0662
0.0639
null
null
0.1432
0.1445
null
null
null
null
null
1.248
null
null
has coordinates
Doi, Mitsunobu; Ijiri, Yoshio; Akagi, Masao; Uenishi, Miharu; Urata, Hidehito Crystal Structure of 5'-Hydroxythalidomide In Vivo Metabolite of Thalidomide in Humans Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x51-x52
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100675.cif $ #-------------------------------------------------------------------...
1,100,676
6.1468
0.0005
10.7412
0.0005
9.0572
0.0006
90
null
103.665
0.003
90
null
581.07
0.07
296.1
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C11 H16 Br N -
- C11 H16 Br N -
- C22 H32 Br2 N2 -
2
1
Kobayashi, Kimiko; Sassa, Masashi; Yajima, Keiji; Tsuboyama, Sei; Enomoto, Kouichiro; Miyamae, Hiroshi
Molecular Structure and Absolute Configuration of 1-Benzyl-(+)-2- methylazetidine Hydrobromide
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x53
x54
10.2116/analscix.19.x53
0.7107
MoKα
null
0.047
null
null
null
0.052
null
null
null
null
null
1.081
null
null
has coordinates
Kobayashi, Kimiko; Sassa, Masashi; Yajima, Keiji; Tsuboyama, Sei; Enomoto, Kouichiro; Miyamae, Hiroshi Molecular Structure and Absolute Configuration of 1-Benzyl-(+)-2- methylazetidine Hydrobromide Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x53-x54
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100676.cif $ #-------------------------------------------------------------------...
1,100,677
8.722
0.0007
11.42
0.0011
13.307
0.0012
90
null
104.101
0.005
90
null
1,285.5
0.2
293
null
293
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
3,5-dicyano-2,6-dimethyl-4-phenyl-1,4-dihydropyridine
- C15 H13 N3 -
- C15 H13 N3 -
- C60 H52 N12 -
4
1
Mahendra, M.; Doreswamy, B. H.; Adlakha, Priti; Raval, Kena; Varu, Bharat; Shah, Anamik; Sridhar, M. A.; Prasad, J. S.
Synthesis and Crystal Structure of 3,5-dicyano-2,6-dimethyl-4-phenyl-1,4-dihydropyridine
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x55
x56
10.2116/analscix.19.x55
x-ray
0.71073
MoKα
0.1096
0.0625
null
null
0.1755
0.2265
null
null
null
null
null
0.908
null
null
has coordinates
Mahendra, M.; Doreswamy, B. H.; Adlakha, Priti; Raval, Kena; Varu, Bharat; Shah, Anamik; Sridhar, M. A.; Prasad, J. S. Synthesis and Crystal Structure of 3,5-dicyano-2,6-dimethyl-4-phenyl-1,4-dihydropyridine Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x55-x56
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100677.cif $ #-------------------------------------------------------------------...
1,100,678
14.363
0.005
11.881
0.003
15.71
0.005
90
null
107.664
0.005
90
null
2,554.4
1.4
293
2
293
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C20 H21 Cl4 Cu2 N5 S2 -
- C20 H21 Cl4 Cu2 N5 S2 -
- C80 H84 Cl16 Cu8 N20 S8 -
4
1
null
null
0.71073
MoKα
0.154
0.0596
null
null
0.1073
0.1382
null
null
null
null
null
0.979
null
null
has coordinates
()
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100678.cif $ #-------------------------------------------------------------------...
1,100,679
10.4686
0.0016
11.9543
0.0016
5.9271
0.0016
102.365
0.016
92.12
0.016
65.302
0.015
657.1
0.2
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
- C14 H16 N2 S -
- C14 H16 N2 S -
- C28 H32 N4 S2 -
2
1
Aksoy, Ilhan; Çukurovali, Alaaddin; Güven, Kutalms; Yilmaz, Ibrahim; Sari, Ugur
Structure of 4-(1-phenyl-1-methylcyclobutyl-3-yl)-2-aminothiazole
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x59
x60
10.2116/analscix.19.x59
0.71069
MoKα
0.0727
0.0419
null
null
0.1149
0.1333
null
null
null
null
null
1.05
null
null
has coordinates,has disorder
Aksoy, Ilhan; Çukurovali, Alaaddin; Güven, Kutalms; Yilmaz, Ibrahim; Sari, Ugur Structure of 4-(1-phenyl-1-methylcyclobutyl-3-yl)-2-aminothiazole Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x59-x60
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100679.cif $ #-------------------------------------------------------------------...
1,100,680
23.516
0.003
5.364
0.003
21.872
0.003
90
null
90
null
90
null
2,758.7
1.7
293
2
293
2
null
null
null
null
4
P n a 21
P 2c -2n
33
- C15 H14 N2 O2 -
- C15 H14 N2 O2 -
- C120 H112 N16 O16 -
8
2
Sari, Ugur; Bati, Hümeyra; Güven, Kutalms; Tas, Murat; Aksoy, Ilhan
Structure of 1-(4-Methylphenylamino)-2-phenyl-1,2-ethandione-1-oxime
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x61
x62
10.2116/analscix.19.x61
0.71069
MoKα
0.1098
0.041
null
null
0.1284
0.1759
null
null
null
null
null
1.06
null
null
has coordinates,has disorder
Sari, Ugur; Bati, Hümeyra; Güven, Kutalms; Tas, Murat; Aksoy, Ilhan Structure of 1-(4-Methylphenylamino)-2-phenyl-1,2-ethandione-1-oxime Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x61-x62
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100680.cif $ #-------------------------------------------------------------------...
1,100,681
8.8162
0.0006
16.942
0.0015
4.8651
0.0003
90
null
90
null
90
null
726.67
0.09
296
2
296
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
Scorbamic acid
- C6 H9 N O5 -
- C6 H9 N O5 -
- C24 H36 N4 O20 -
4
1
Imai, Tokiko; Yoshihiro, Yokoyama; Sekine, Akiko; Uekusa, Hidediro; Ohashi, Yuji
The Structure of 2-Amino-2-deoxyascorbic acid and 2-Amino-2-deoxyerythorbic acid
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x65
x66
10.2116/analscix.19.x65
0.7107
MoKα
0.0444
0.0421
null
null
0.1233
0.128
null
null
null
null
null
1.116
null
null
has coordinates
Imai, Tokiko; Yoshihiro, Yokoyama; Sekine, Akiko; Uekusa, Hidediro; Ohashi, Yuji The Structure of 2-Amino-2-deoxyascorbic acid and 2-Amino-2-deoxyerythorbic acid Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x65-x66
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100681.cif $ #-------------------------------------------------------------------...
1,100,682
8.3338
0.0013
10.294
0.002
8.029
0.002
90
null
90
null
90
null
688.8
0.2
296
2
296
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
Erythroscorbamic acid
- C6 H9 N O5 -
- C6 H9 N O5 -
- C24 H36 N4 O20 -
4
1
Imai, Tokiko; Yoshihiro, Yokoyama; Sekine, Akiko; Uekusa, Hidediro; Ohashi, Yuji
The Structure of 2-Amino-2-deoxyascorbic acid and 2-Amino-2-deoxyerythorbic acid
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x65
x66
10.2116/analscix.19.x65
0.7107
MoKα
0.0455
0.0439
null
null
0.1249
0.1262
null
null
null
null
null
1.113
null
null
has coordinates
Imai, Tokiko; Yoshihiro, Yokoyama; Sekine, Akiko; Uekusa, Hidediro; Ohashi, Yuji The Structure of 2-Amino-2-deoxyascorbic acid and 2-Amino-2-deoxyerythorbic acid Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x65-x66
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100682.cif $ #-------------------------------------------------------------------...
1,100,683
7.735
0.002
7.989
0.002
11.949
0.002
86.02
0.03
77.61
0.03
71.18
0.03
682.6
0.3
153
2
153
2
null
null
null
null
6
P -1
-P 1
2
- C22 H24 Cl4 Cu2 N6 S2 -
- C22 H24 Cl4 Cu2 N6 S2 -
- C22 H24 Cl4 Cu2 N6 S2 -
1
0.5
Caradoc-Davies, Paula L.; Gregory, Duncan H.; Hanton, Lyall R.; Turnbull, Julia M.
Probing copper halide supramolecular arrays of a ditopic ligand with complexes of a monotopic analogue
Journal of the Chemical Society, Dalton Transactions
2,002
null
8
1574
1580
10.1039/b111176k
0.71073
MoKα
0.195
0.1773
null
null
0.4681
0.4752
null
null
null
null
null
1.892
null
null
has coordinates
Caradoc-Davies, Paula L.; Gregory, Duncan H.; Hanton, Lyall R.; Turnbull, Julia M. Probing copper halide supramolecular arrays of a ditopic ligand with complexes of a monotopic analogue Journal of the Chemical Society, Dalton Transactions (issue 8) (2002) 1574-1580
180,569
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-28 23:09:42 +0300 (Mon, 28 Mar 2016) $ #$Revision: 180569 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100683.cif $ #-------------------------------------------------------------------...
1,100,684
6.3805
0.0005
15.624
0.001
24.778
0.002
90
null
90
null
90
null
2,470
0.4
296.2
null
null
null
null
null
null
null
3
P b c a
-P 2ac 2ab
61
- C16 H14 O2 -
- C16 H14 O2 -
- C128 H112 O16 -
8
1
Kitamura, Chitoshi; Fujimoto, Jun; Ouchi, Mikio; Yoneda, Akio
Crystal Structure of 1,4-Dimethoxyanthracene
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x69
x70
10.2116/analscix.19.x69
0.7107
MoKα
null
0.0711
null
null
null
0.1573
null
null
null
null
null
1.772
null
null
has coordinates
Kitamura, Chitoshi; Fujimoto, Jun; Ouchi, Mikio; Yoneda, Akio Crystal Structure of 1,4-Dimethoxyanthracene Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x69-x70
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100684.cif $ #-------------------------------------------------------------------...
1,100,685
6.5534
0.0013
7.4907
0.0015
12.03
0.002
85.42
0.03
82.92
0.03
74.83
0.03
564.9
0.2
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C7 H11 N O9 Sn -
- C7 H11 N O9 Sn -
- C14 H22 N2 O18 Sn2 -
2
1
Ranjbar, Maryam; Aghabozorg, Hossein; Moghimi, Abolghasem
Crystal Structure of a Binuclear Seven-Coordinate Tin(IV) Complex
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x71
x72
10.2116/analscix.19.x71
0.71073
MoKα
0.0608
0.0528
null
null
0.1371
0.14
null
null
null
null
null
1.026
null
null
has coordinates
Ranjbar, Maryam; Aghabozorg, Hossein; Moghimi, Abolghasem Crystal Structure of a Binuclear Seven-Coordinate Tin(IV) Complex Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x71-x72
211,332
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100685.cif $ #-------------------------------------------------------------------...
1,100,686
5.2095
0.0001
14.1845
0.0005
6.0638
0.0002
90
null
101.545
0.002
90
null
439.01
0.02
295
2
295
2
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C3 H4 N4 -
- C3 H4 N4 -
- C12 H16 N16 -
4
1
Hwang, Long-Chih; Wu, Rang-Rong; Jane, Shin-Yi; Lee, Gene-Hsiang
Crystal Structure of 3-Amino-1,2,4-triazine
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x73
x74
10.2116/analscix.19.x73
0.71073
MoKα
0.0716
0.0477
null
0.1228
0.1124
null
null
null
1.01
1.096
1.096
null
null
null
has coordinates
Hwang, Long-Chih; Wu, Rang-Rong; Jane, Shin-Yi; Lee, Gene-Hsiang Crystal Structure of 3-Amino-1,2,4-triazine Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x73-x74
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100686.cif $ #-------------------------------------------------------------------...
1,100,687
10.935
0.003
13.921
0.003
17.152
0.005
89.795
0.009
78.487
0.009
89.933
0.009
2,558.4
1.1
273
2
273
2
null
null
null
null
5
P -1
-P 1
2
- C22 H22 I3 O2 P -
- C22 H22 I3 O2 P -
- C88 H88 I12 O8 P4 -
4
2
null
null
0.71073
MoKα
0.0772
0.0592
null
null
0.1849
0.1969
null
null
null
null
null
1.141
null
null
has coordinates
()
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100687.cif $ #-------------------------------------------------------------------...
1,100,688
18.381
0.004
6.1799
0.0012
6.1865
0.0012
90
null
90
null
90
null
702.7
0.2
293
2
293
2
null
null
null
null
4
P m n 21
P 2ac -2
31
2,3-bis(4-methylphenyl)tetrazolidine-5-thione
- C15 H16 N4 S -
- C15 H16 N4 S -
- C30 H32 N8 S2 -
2
0.5
Zhao, Pu Su; Jian, Fang Fang; Xiao, Hai Lian; Hou, Yu Xia
A Novel Synthesis and Crystal Structure of 2,3-Substituted-1,4-2H-tetrazolthione
Bulletin of the Korean Chemical Society
2,004
25
12
1935
1936
10.5012/bkcs.2004.25.12.1935
0.71073
MoKα
0.1207
0.1089
null
null
0.3064
0.3127
null
null
null
null
null
1.219
null
null
has coordinates
Zhao, Pu Su; Jian, Fang Fang; Xiao, Hai Lian; Hou, Yu Xia A Novel Synthesis and Crystal Structure of 2,3-Substituted-1,4-2H-tetrazolthione Bulletin of the Korean Chemical Society 25(12) (2004) 1935-1936
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100688.cif $ #-------------------------------------------------------------------...
1,100,689
12.4629
0.001
6.1705
0.0005
15.5815
0.0013
90
null
102.243
0.002
90
null
1,171
0.17
291
2
291
2
null
null
null
null
4
P 1 21 1
P 2yb
4
Crystal structure and Synthesis of β-(p-Fluorobenzoyloxy)-4,16-pregnadiene-6,20-dione
- C28 H31 F O4 -
- C28 H31 F O4 -
- C56 H62 F2 O8 -
2
1
Soriano-García, Manuel; Valencia, Norma; Flores, Eugenio; Bratoeff, Eugene; Ramírez, Elena; Cabeza, Marisa
Crystal structure and Synthesis of β-(p-Fluorobenzoyloxy)-4,16-pregnadiene-6,20-dione
Analytical Sciences: X-ray Structure Analysis Online
2,003
19
x79
x80
10.2116/analscix.19.x79
0.71073
MoKα
0.0812
0.0476
null
null
0.0794
0.0868
null
null
null
null
null
0.911
null
null
has coordinates,has disorder
Soriano-García, Manuel; Valencia, Norma; Flores, Eugenio; Bratoeff, Eugene; Ramírez, Elena; Cabeza, Marisa Crystal structure and Synthesis of β-(p-Fluorobenzoyloxy)-4,16-pregnadiene-6,20-dione Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x79-x80
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100689.cif $ #-------------------------------------------------------------------...
1,100,690
7.733
0.003
10.511
0.002
7.715
0.002
98.17
0.02
109.89
0.02
82.79
0.02
581.7
0.3
296.2
null
296
null
null
null
null
null
5
P -1
-P 1
2
- C8 H32 N4 O16 P4 -
- C8 H32 N4 O16 P4 -
- C8 H32 N4 O16 P4 -
1
0.5
Hemissi, Hanène; Abid, Sonia; Rzaigui, Mohamed
Structural Characterization of a New Organic Cyclotetraphosphate, [C~4~H~8~N~2~H~4~]~2~P~4~O~12~·4H~2~O
Analytical Sciences: X-ray Structure Analysis Online
2,004
20
x1
x2
10.2116/analscix.20.x1
0.5608
AgKα
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hemissi, Hanène; Abid, Sonia; Rzaigui, Mohamed Structural Characterization of a New Organic Cyclotetraphosphate, [C~4~H~8~N~2~H~4~]~2~P~4~O~12~·4H~2~O Analytical Sciences: X-ray Structure Analysis Online 20 (2004) x1-x2
301,773
2025-08-18
12:42:42
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:40:47 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301773 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100690.cif $ #-------------------------------------------------------------------...
1,100,691
11.082
0.003
35.856
0.008
12.135
0.003
90
null
106.04
0.02
90
null
4,634
2
293
2
293
2
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
Tetrakis(N,N-dimethyl,N'-phenylthiourea-S)cadmium(II)diperchlorate
- C36 H48 Cd Cl2 N8 O8 S4 -
- C36 H48 Cd Cl2 N8 O8 S4 -
- C144 H192 Cd4 Cl8 N32 O32 S16 -
4
1
Cherni, Saoussen Namouchi; Samba, Mohamadou; Dachraoui, Mohamed
Crystal Structure of Tetrakis(N,N-dimethyl, N'-phenylthiourea-S) cadmium(II) diperchlorate [Cd((CH~3~)~2~NCSNHPh)~4~](ClO~4~)~2~
Analytical Sciences: X-ray Structure Analysis Online
2,004
20
x3
x4
10.2116/analscix.20.x3
0.71073
MoKα
0.0981
0.0496
null
null
0.118
0.1515
null
null
null
null
null
1.024
null
null
has coordinates
Cherni, Saoussen Namouchi; Samba, Mohamadou; Dachraoui, Mohamed Crystal Structure of Tetrakis(N,N-dimethyl, N'-phenylthiourea-S) cadmium(II) diperchlorate [Cd((CH~3~)~2~NCSNHPh)~4~](ClO~4~)~2~ Analytical Sciences: X-ray Structure Analysis Online 20 (2004) x3-x4
176,429
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100691.cif $ #-------------------------------------------------------------------...
1,100,692
6.985
0.002
9.045
0.002
10.256
0.003
111.87
0.02
104.25
0.02
102
0.02
549.5
0.3
293
2
293
2
null
null
null
null
4
P 1
P 1
1
hexapotassium dibismuth diphosphate
- Bi2 K6 O21 P6 -
- Bi2 K6 O21 P6 -
- Bi2 K6 O21 P6 -
1
1
Falah, Chiraz; Boughzala, Habib; Jouini, Tahar
Preparation and the Crystal Structure of Non-centrosymmetric K~6~Bi~2~(P~2~O~7~)~3~
Analytical Sciences: X-ray Structure Analysis Online
2,004
20
x17
x18
10.2116/analscix.20.x17
0.71073
MoKα
0.077
0.0732
null
null
0.1715
0.1753
null
null
null
null
null
1.053
null
null
has coordinates
Falah, Chiraz; Boughzala, Habib; Jouini, Tahar Preparation and the Crystal Structure of Non-centrosymmetric K~6~Bi~2~(P~2~O~7~)~3~ Analytical Sciences: X-ray Structure Analysis Online 20 (2004) x17-x18
277,831
2022-09-14
14:31:32
#------------------------------------------------------------------------------ #$Date: 2022-09-14 17:31:13 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277831 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100692.cif $ #-------------------------------------------------------------------...
1,100,693
9.3177
0.001
10.0414
0.0011
11.7532
0.0013
105.928
0.002
109.526
0.002
96.78
0.002
969.56
0.18
100
2
100
2
null
null
null
null
5
P -1
-P 1
2
((3,5-(CF3)2PzCu)4(C4H4N2)2)
- C28 H12 Cu4 F24 N12 -
- C28 H12 Cu4 F24 N12 -
- C28 H12 Cu4 F24 N12 -
1
0.5
Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Gamage, Chammi S. Palehepitiya
Neutral Cu~4~N~12~ and Ag~4~N~12~ metallacycles with a para-cyclophane framework assembled from copper(I) and silver(I) pyrazolates and pyridazine.
Chemical Communications (Cambridge, United Kingdom)
2,005
null
12
1619
1621
10.1039/b418306a
0.71073
MoKα
0.0312
0.0302
null
null
0.0815
0.0824
null
null
null
null
null
1.054
7,100,785
null
has coordinates
Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Gamage, Chammi S. Palehepitiya Neutral Cu~4~N~12~ and Ag~4~N~12~ metallacycles with a para-cyclophane framework assembled from copper(I) and silver(I) pyrazolates and pyridazine. Chemical Communications (Cambridge, United Kingdom) (issue 12) (2005) 1619-1621
209,732
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-08-16 00:31:59 +0300 (Thu, 16 Aug 2018) $ #$Revision: 209732 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100693.cif $ #-------------------------------------------------------------------...
1,100,694
18.142
0.002
22.807
0.003
10.0462
0.0012
90
null
104.477
0.002
90
null
4,024.7
0.8
101
2
101
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
((3,5-(CF3)2PzAg)4(C4H4N2)2)
- C28 H12 Ag4 F24 N12 -
- C28 H12 Ag4 F24 N12 -
- C112 H48 Ag16 F96 N48 -
4
1
Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Gamage, Chammi S. Palehepitiya
Neutral Cu~4~N~12~ and Ag~4~N~12~ metallacycles with a para-cyclophane framework assembled from copper(I) and silver(I) pyrazolates and pyridazine.
Chemical Communications (Cambridge, United Kingdom)
2,005
null
12
1619
1621
10.1039/b418306a
0.71073
MoKα
0.0329
0.0298
null
null
0.0769
0.0788
null
null
null
null
null
1.085
7,100,786
null
has coordinates
Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Gamage, Chammi S. Palehepitiya Neutral Cu~4~N~12~ and Ag~4~N~12~ metallacycles with a para-cyclophane framework assembled from copper(I) and silver(I) pyrazolates and pyridazine. Chemical Communications (Cambridge, United Kingdom) (issue 12) (2005) 1619-1621
209,732
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-08-16 00:31:59 +0300 (Thu, 16 Aug 2018) $ #$Revision: 209732 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100694.cif $ #-------------------------------------------------------------------...
1,100,695
9.2674
0.0014
15.769
0.002
23.946
0.004
90
null
99.06
0.002
90
null
3,455.7
0.9
100
2
100
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
((3,5-(CF3)2PzCu)3(C12H8N2))
- C28 H13 Cl2 Cu3 F18 N8 -
- C28 H13 Cl2 Cu3 F18 N8 -
- C112 H52 Cl8 Cu12 F72 N32 -
4
1
Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Gamage, Chammi S. Palehepitiya
Neutral Cu~4~N~12~ and Ag~4~N~12~ metallacycles with a para-cyclophane framework assembled from copper(I) and silver(I) pyrazolates and pyridazine.
Chemical Communications (Cambridge, United Kingdom)
2,005
null
12
1619
1621
10.1039/b418306a
0.71073
MoKα
0.0665
0.0554
null
null
0.1397
0.1444
null
null
null
null
null
1.19
7,100,787
null
has coordinates
Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Gamage, Chammi S. Palehepitiya Neutral Cu~4~N~12~ and Ag~4~N~12~ metallacycles with a para-cyclophane framework assembled from copper(I) and silver(I) pyrazolates and pyridazine. Chemical Communications (Cambridge, United Kingdom) (issue 12) (2005) 1619-1621
209,732
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-08-16 00:31:59 +0300 (Thu, 16 Aug 2018) $ #$Revision: 209732 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100695.cif $ #-------------------------------------------------------------------...
1,100,696
8.0239
0.0005
18.7101
0.0011
9.516
0.0006
90
null
110.112
0.001
90
null
1,341.5
0.14
293
2
293
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C12 H12 Cu I N2 S -
- C12 H12 Cu I N2 S -
- C48 H48 Cu4 I4 N8 S4 -
4
1
null
null
0.71073
MoKα
0.0313
0.0276
null
null
0.0698
0.0715
null
null
null
null
null
1.052
null
null
has coordinates
()
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100696.cif $ #-------------------------------------------------------------------...
1,100,697
10.354
0.005
16.245
0.005
10.528
0.005
90
0.005
100.08
0.005
90
0.005
1,743.5
1.3
293
2
293
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C13 H14 Cu2 I2 N2 S -
- C13 H14 Cu2 I2 N2 S -
- C52 H56 Cu8 I8 N8 S4 -
4
1
null
null
0.71069
MoKα
0.0445
0.037
null
null
0.1016
0.105
null
null
null
null
null
1.036
null
null
has coordinates
()
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100697.cif $ #-------------------------------------------------------------------...
1,100,698
9.351
0.005
10.314
0.005
10.441
0.005
105.338
0.005
102.112
0.005
102.073
0.005
911.3
0.8
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
- C14 H16 Cu2 I2 N2 S -
- C14 H16 Cu2 I2 N2 S -
- C28 H32 Cu4 I4 N4 S2 -
2
1
null
null
0.71069
MoKα
0.0325
0.0274
null
null
0.0699
0.0713
null
null
null
null
null
1.045
null
null
has coordinates
()
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100698.cif $ #-------------------------------------------------------------------...
1,100,699
8.077
0.002
13.919
0.004
12.956
0.003
90
null
94.728
0.003
90
null
1,451.6
0.6
170
2
170
2
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C12 H12 Cl2 Cu N2 O S -
- C12 H12 Cl2 Cu N2 O S -
- C48 H48 Cl8 Cu4 N8 O4 S4 -
4
1
null
null
0.71073
MoKα
0.052
0.0374
null
null
0.0783
0.0829
null
null
null
null
null
1.099
null
null
has coordinates
()
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/06/1100699.cif $ #-------------------------------------------------------------------...
1,100,700
13.657
0.004
8.278
0.003
14.071
0.004
90
null
103.063
0.004
90
null
1,549.7
0.8
173
2
173
2
null
null
null
null
7
P 1 2/n 1
-P 2yac
13
- C12 H12 Ag F6 N2 P S -
- C12 H12 Ag F6 N2 P S -
- C48 H48 Ag4 F24 N8 P4 S4 -
4
1
Caradoc-Davies, Paula L.; Hanton, Lyall R.; Lee, Kitty
Extension of a π-stacked N~2~S ligand to form bi- and tri-nuclear silver(I) complexes
Chemical Communications (Cambridge, United Kingdom)
2,000
null
9
783
784
10.1039/a910342m
0.71073
MoKα
0.0426
0.0353
null
null
0.0899
0.094
null
null
null
null
null
1.06
null
null
has coordinates
Caradoc-Davies, Paula L.; Hanton, Lyall R.; Lee, Kitty Extension of a π-stacked N~2~S ligand to form bi- and tri-nuclear silver(I) complexes Chemical Communications (Cambridge, United Kingdom) (issue 9) (2000) 783-784
178,221
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-16 11:15:42 +0200 (Wed, 16 Mar 2016) $ #$Revision: 178221 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100700.cif $ #-------------------------------------------------------------------...
1,100,701
13.277
0.005
15.822
0.005
14.031
0.005
90
0.005
108.144
0.005
90
0.005
2,800.9
1.7
293
2
293
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C24 H24 Ag2 N6 O6 S2 -
- C24 H24 Ag2 N6 O6 S2 -
- C96 H96 Ag8 N24 O24 S8 -
4
1
null
null
0.71069
MoKα
0.3282
0.1869
null
null
0.5071
0.5275
null
null
null
null
null
1.291
null
null
has coordinates
()
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100701.cif $ #-------------------------------------------------------------------...
1,100,702
8.371
0.005
10.844
0.005
13.407
0.005
66.954
0.005
80.26
0.005
73.6
0.005
1,072
0.9
293
2
293
2
null
null
null
null
7
P -1
-P 1
2
- C18 H18 Ag Cl N4 O4 S2 -
- C18 H18 Ag Cl N4 O4 S2 -
- C36 H36 Ag2 Cl2 N8 O8 S4 -
2
1
null
null
0.71069
MoKα
0.0331
0.031
null
null
0.0851
0.0865
null
null
null
null
null
1.046
null
null
has coordinates
()
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100702.cif $ #-------------------------------------------------------------------...
1,100,703
11.445
0.005
13.146
0.005
17.529
0.005
100.182
0.005
92.571
0.005
115.658
0.005
2,317.8
1.5
163
2
163
2
null
null
null
null
6
P -1
-P 1
2
- C36 H36 Ag4 N12 O13 S4 -
- C36 H36 Ag4 N12 O13 S4 -
- C72 H72 Ag8 N24 O26 S8 -
2
1
Caradoc-Davies, Paula L.; Hanton, Lyall R.; Henderson, William
Coordination polymers and isomerism; a study using silver(I) and a π-stacked ligand
Journal of the Chemical Society, Dalton Transactions
2,001
null
19
2749
2755
10.1039/b104284j
0.71069
MoKα
0.0659
0.039
null
null
0.0979
0.1061
null
null
null
null
null
0.951
null
null
has coordinates,has disorder
Caradoc-Davies, Paula L.; Hanton, Lyall R.; Henderson, William Coordination polymers and isomerism; a study using silver(I) and a π-stacked ligand Journal of the Chemical Society, Dalton Transactions (issue 19) (2001) 2749-2755
180,573
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-29 03:17:44 +0300 (Tue, 29 Mar 2016) $ #$Revision: 180573 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100703.cif $ #-------------------------------------------------------------------...
1,100,704
9.182
0.002
9.182
0.002
52.48
0.018
90
null
90
null
120
null
3,831.7
1.9
163
2
163
2
null
null
null
null
7
P 65 2 2
P 65 2 (0 0 1)
179
- C20 H22 Ag2 Cl2 N4 O8 S2 -
- C20 H22 Ag2 Cl2 N4 O8 S2 -
- C120 H132 Ag12 Cl12 N24 O48 S12 -
6
0.5
Caradoc-Davies, Paula L.; Hanton, Lyall R.
Formation of a Single-Stranded Silver(I) Helical Coordination Polymer Containing π-Stacked Planar Chiral N~4~S~2~ Ligands
Chemical Communications (Cambridge, United Kingdom)
2,001
null
12
1098
1099
10.1039/b101875m
0.71073
MoKα
0.0434
0.042
null
null
0.0887
0.0893
null
null
null
null
null
1.177
null
null
has coordinates
Caradoc-Davies, Paula L.; Hanton, Lyall R. Formation of a Single-Stranded Silver(I) Helical Coordination Polymer Containing π-Stacked Planar Chiral N~4~S~2~ Ligands Chemical Communications (Cambridge, United Kingdom) (issue 12) (2001) 1098-1099
176,868
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-24 15:32:01 +0200 (Wed, 24 Feb 2016) $ #$Revision: 176868 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100704.cif $ #-------------------------------------------------------------------...
1,100,705
10.033
0.001
8.7293
0.0008
12.3735
0.0011
90
null
91.421
0.001
90
null
1,083.35
0.18
158
2
158
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C18 H18 Cu2 I2 N4 S2 -
- C18 H18 Cu2 I2 N4 S2 -
- C36 H36 Cu4 I4 N8 S4 -
2
0.5
null
null
0.71073
MoKα
0.0313
0.029
null
null
0.0709
0.0729
null
null
null
null
null
1.073
null
null
has coordinates
()
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100705.cif $ #-------------------------------------------------------------------...
1,100,706
9.0697
0.0005
11.5456
0.0006
13.9266
0.0008
90
null
102.3
0.001
90
null
1,424.85
0.14
298
2
298
2
null
null
null
null
5
C 1 c 1
C -2yc
9
- H2 In O14 Rb3 Si5 -
- H2 In O14 Rb3 Si5 -
- H8 In4 O56 Rb12 Si20 -
4
1
Ling-I Hung; Sue-Lein Wang; Chia-Yi Chen; Bor-Chen Chang; Kwang-Hwa Lii
Rb3In(H2O)Si5O13: A Novel Indium Silicate with a CdSO4-Topological-Type Structure
Inorganic Chemistry
2,005
44
2992
2994
10.1021/ic048296n
0.71073
MoKα
0.0211
0.0209
null
null
0.0521
0.0522
null
null
null
null
null
1.045
null
null
has coordinates
Ling-I Hung; Sue-Lein Wang; Chia-Yi Chen; Bor-Chen Chang; Kwang-Hwa Lii Rb3In(H2O)Si5O13: A Novel Indium Silicate with a CdSO4-Topological-Type Structure Inorganic Chemistry 44 (2005) 2992-2994
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100706.cif $ #-------------------------------------------------------------------...
7,015,152
17.7919
0.0007
8.5738
0.0003
12.8045
0.0004
90
null
90
null
90
null
1,953.25
0.12
100
2
100
2
null
null
null
null
6
P n a 21
P 2c -2n
33
- C16 H20 N6 Ni O2 S2 -
- C16 H20 N6 Ni O2 S2 -
- C64 H80 N24 Ni4 O8 S8 -
4
1
Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu
Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3219
3228
10.1039/c0dt01291b
0.71073
MoKα
0.0167
0.0161
null
null
0.0388
0.0391
null
null
null
null
null
1.04
null
null
has coordinates
Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes. ...
179,855
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179855 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015152.cif $ #-------------------------------------------------------------------...
1,100,707
8.919
0.005
15.424
0.007
10.074
0.005
90
null
107.047
0.015
90
null
1,325
1.2
90
2
90
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
[Pt(C(NHCH3)2)4] 2[Au(CN)2]
- C16 H32 Au2 N12 Pt -
- C16 H32 Au2 N12 Pt -
- C32 H64 Au4 N24 Pt2 -
2
0.5
Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch
Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions
Inorganic Chemistry
2,005
44
3466
3472
10.1021/ic048333a
0.71073
MoKα
0.0577
0.0527
null
null
0.1338
0.1408
null
null
null
null
null
1.061
null
null
has coordinates
Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions Inorganic Chemistry 44 (2005) 3466-3472
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100707.cif $ #-------------------------------------------------------------------...
1,100,708
8.3863
0.0005
8.4243
0.0005
10.8888
0.0007
86.48
0.002
74.549
0.002
89.27
0.003
740.07
0.08
90
2
90
2
null
null
null
null
5
P -1
-P 1
2
[Pt(C(NHCH~3~)~2~)~4~][Ag(CN)~2~][Ag~2~(CN)~3~]
- C16 H32 Ag3 N14 Pt -
- C16 H32 Ag3 N14 Pt -
- C16 H32 Ag3 N14 Pt -
1
0.5
Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch
Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions
Inorganic Chemistry
2,005
44
3466
3472
10.1021/ic048333a
0.71073
MoKα
0.0283
0.0236
null
null
0.058
0.0625
null
null
null
null
null
0.904
null
null
has coordinates,has disorder
Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions Inorganic Chemistry 44 (2005) 3466-3472
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100708.cif $ #-------------------------------------------------------------------...
1,100,709
7.0515
0.0013
9.2481
0.0014
9.2728
0.0018
75.077
0.002
77.247
0.005
79.743
0.006
565.16
0.17
90
2
90
2
null
null
null
null
5
P -1
-P 1
2
[Pt(bpy)~2~][Au(CN)~2~]~2~
- C24 H16 Au2 N8 Pt -
- C24 H16 Au2 N8 Pt -
- C24 H16 Au2 N8 Pt -
1
0.5
Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch
Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions
Inorganic Chemistry
2,005
44
3466
3472
10.1021/ic048333a
0.71073
MoKα
0.0387
0.0354
null
null
0.0903
0.0921
null
null
null
null
null
1.047
null
null
has coordinates
Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions Inorganic Chemistry 44 (2005) 3466-3472
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100709.cif $ #-------------------------------------------------------------------...
1,100,710
6.3598
0.0006
6.9603
0.0007
9.0333
0.0009
88.311
0.002
79.576
0.002
74.306
0.002
378.53
0.06
90
2
90
2
null
null
null
null
5
P -1
-P 1
2
[Pt(en)~2~][Au(CN)~2~]~2~
- C8 H16 Au2 N8 Pt -
- C8 H16 Au2 N8 Pt -
- C8 H16 Au2 N8 Pt -
1
0.5
Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch
Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions
Inorganic Chemistry
2,005
44
3466
3472
10.1021/ic048333a
0.71073
MoKα
0.0205
0.0205
null
null
0.0501
0.0501
null
null
null
null
null
1.062
null
null
has coordinates
Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions Inorganic Chemistry 44 (2005) 3466-3472
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100710.cif $ #-------------------------------------------------------------------...
1,100,711
6.3899
0.0004
6.9793
0.0005
8.9383
0.0006
89.026
0.001
79.631
0.001
73.716
0.001
376.15
0.04
90
2
90
2
null
null
null
null
5
P -1
-P 1
2
[Pt(en)~2~][Ag(CN)~2~]~2~
- C8 H16 Ag2 N8 Pt -
- C8 H16 Ag2 N8 Pt -
- C8 H16 Ag2 N8 Pt -
1
0.5
Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch
Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions
Inorganic Chemistry
2,005
44
3466
3472
10.1021/ic048333a
0.71073
MoKα
0.0151
0.0151
null
null
0.0391
0.0391
null
null
null
null
null
1.056
null
null
has coordinates
Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions Inorganic Chemistry 44 (2005) 3466-3472
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100711.cif $ #-------------------------------------------------------------------...
7,015,151
10.5576
0.0011
11.0223
0.0012
13.6843
0.0014
70.642
0.001
72.35
0.001
63.754
0.001
1,324.2
0.2
294
2
294
2
null
null
null
null
7
P -1
-P 1
2
- C26 H24 Cl Cu N3 P S2 -
- C26 H24 Cl Cu N3 P S2 -
- C52 H48 Cl2 Cu2 N6 P2 S4 -
2
1
Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu
Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3219
3228
10.1039/c0dt01291b
0.71073
MoKα
0.0661
0.0456
null
null
0.1324
0.148
null
null
null
null
null
0.964
null
null
has coordinates
Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes. ...
176,453
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015151.cif $ #-------------------------------------------------------------------...
1,100,712
9.444
0.001
10.522
0.001
19.75
0.001
88.64
0.01
89.6
0.01
67.44
0.01
1,811.9
0.3
100
2
100
2
null
null
null
null
6
P -1
-P 1
2
- C40 H54 Ge N2 O Zr -
- C40 H54 Ge N2 O Zr -
- C80 H108 Ge2 N4 O2 Zr2 -
2
1
Leslie W. Pineda; Vojtech Jancik; Herbert W. Roesky; Regine Herbst-Irmer
OH Functionality of Germanium(II) Compounds for the Formation of Heterobimetallic Oxides
Inorganic Chemistry
2,005
44
3537
3540
10.1021/ic048383f
1.54178
CuKα
0.0297
0.0288
null
null
0.0728
0.0735
null
null
null
null
null
1.062
null
null
has coordinates
Leslie W. Pineda; Vojtech Jancik; Herbert W. Roesky; Regine Herbst-Irmer OH Functionality of Germanium(II) Compounds for the Formation of Heterobimetallic Oxides Inorganic Chemistry 44 (2005) 3537-3540
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100712.cif $ #-------------------------------------------------------------------...
1,100,713
9.323
0.001
10.474
0.001
20.2
0.001
89.13
0.01
89.87
0.01
67.04
0.01
1,816
0.3
100
2
100
2
null
null
null
null
6
P -1
-P 1
2
- C40 H54 Ge Hf N2 O -
- C40 H54 Ge Hf N2 O -
- C80 H108 Ge2 Hf2 N4 O2 -
2
1
Leslie W. Pineda; Vojtech Jancik; Herbert W. Roesky; Regine Herbst-Irmer
OH Functionality of Germanium(II) Compounds for the Formation of Heterobimetallic Oxides
Inorganic Chemistry
2,005
44
3537
3540
10.1021/ic048383f
1.54178
CuKα
0.0296
0.0287
null
null
0.0782
0.0785
null
null
null
null
null
1.265
null
null
has coordinates
Leslie W. Pineda; Vojtech Jancik; Herbert W. Roesky; Regine Herbst-Irmer OH Functionality of Germanium(II) Compounds for the Formation of Heterobimetallic Oxides Inorganic Chemistry 44 (2005) 3537-3540
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100713.cif $ #-------------------------------------------------------------------...
1,100,714
23.935
0.003
14.2035
0.0016
22.489
0.003
90
null
106.99
0.02
90
null
7,311.7
1.8
293
2
293
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
- C108 H156 F24 N16 O32 P4 Zn8 -
- C108 H156 F24 N16 O32 P4 Zn8 -
- C216 H312 F48 N32 O64 P8 Zn16 -
2
0.25
Jingwen Chen; Xiaoyong Wang; Yangguang Zhu; Jun Lin; Xiaoliang Yang; Yizhi Li; Yi Lu; Zijian Guo
An Asymmetric Dizinc Phosphodiesterase Model with Phenolate and Carboxylate Bridges
Inorganic Chemistry
2,005
44
3422
3430
10.1021/ic048654m
0.71073
MoKα
0.0631
0.0484
null
null
0.1325
0.1385
null
null
null
null
null
1.046
null
null
has coordinates
Jingwen Chen; Xiaoyong Wang; Yangguang Zhu; Jun Lin; Xiaoliang Yang; Yizhi Li; Yi Lu; Zijian Guo An Asymmetric Dizinc Phosphodiesterase Model with Phenolate and Carboxylate Bridges Inorganic Chemistry 44 (2005) 3422-3430
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100714.cif $ #-------------------------------------------------------------------...
1,100,715
12.6448
0.0011
12.9364
0.0012
16.7806
0.0016
84.98
0.011
76.41
0.01
67.177
0.01
2,459.2
0.4
180
2
180
2
null
null
null
null
5
P -1
-P 1
2
- C57 H58 N2 P4 W -
- C57 H58 N2 P4 W -
- C114 H116 N4 P8 W2 -
2
1
Kay H. Horn; Natascha Böres; Nicolai Lehnert; Klaus Mersmann; Christian Näther; Gerhard Peters; Felix Tuczek
Reduction Pathway of End-On Terminally Coordinated Dinitrogen. IV. Geometric, Electronic, and Vibrational Structure of a W(IV) Dialkylhydrazido Complex and Its Two-Electron-Reduced Derivative Undergoing N-N Cleavage upon Protonation
Inorganic Chemistry
2,005
44
3016
3030
10.1021/ic048675g
0.71073
MoKα
0.0599
0.0423
null
null
0.0922
0.0989
null
null
null
null
null
1.006
null
null
has coordinates,has disorder
Kay H. Horn; Natascha Böres; Nicolai Lehnert; Klaus Mersmann; Christian Näther; Gerhard Peters; Felix Tuczek Reduction Pathway of End-On Terminally Coordinated Dinitrogen. IV. Geometric, Electronic, and Vibrational Structure of a W(IV) Dialkylhydrazido Complex and Its Two-Electron-Reduced Derivative Undergoing N-N Clea...
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100715.cif $ #-------------------------------------------------------------------...
1,100,716
12.2631
0.0008
15.911
0.001
17.389
0.003
63.704
0.003
78.688
0.002
81.038
0.002
2,973.5
0.6
93.1
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C76 H142 Mo6 O54 Rh2 S16 -
- C76 H86 Mo6 O54 Rh2 S16 -
- C76 H86 Mo6 O54 Rh2 S16 -
1
0.5
Akashi, Haruo; Isobe, Kiyoshi; Shibahara, Takashi
Synthesis and characterization of a twin Cubane-type molybdenum-rhodium-sulfur cluster, [{Mo3RhCp*S4(H2O)7(O)}2]8+. X-ray structure of [{Mo3RhCpS4(H2O7O}2](CH3C6H4SO3)(8).14H2O.
Inorganic Chemistry
2,005
44
10
3494
3498
10.1021/ic048733y
0.7107
MoKα
null
0.061
null
null
null
0.163
null
null
null
null
null
0.992
4,340,411
null
has coordinates
Akashi, Haruo; Isobe, Kiyoshi; Shibahara, Takashi Synthesis and characterization of a twin Cubane-type molybdenum-rhodium-sulfur cluster, [{Mo3RhCp*S4(H2O)7(O)}2]8+. X-ray structure of [{Mo3RhCpS4(H2O7O}2](CH3C6H4SO3)(8).14H2O. Inorganic Chemistry 44(10) (2005) 3494-3498
210,285
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-09-01 03:50:19 +0300 (Sat, 01 Sep 2018) $ #$Revision: 210285 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100716.cif $ #-------------------------------------------------------------------...
7,015,150
14.5272
0.0005
9.5752
0.0004
13.5829
0.0005
90
null
101.724
0.002
90
null
1,849.98
0.12
100
1
100
1
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C16 H14 Cl2 N6 Pt -
- C16 H14 Cl2 N6 Pt -
- C64 H56 Cl8 N24 Pt4 -
4
1
Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Sarkar, Biprajit; Hartenbach, Ingo; Fiedler, Jan; Kaim, Wolfgang
2,3-Bis(1-methylimidazol-2-yl)quinoxaline (bmiq), a new ligand with decoupled electron transfer and metal coordination sites: the very different redox behaviour of isoelectronic complexes with [PtCl2] and [AuCl2]+.
Dalton transactions (Cambridge, England : 2003)
2,011
40
12
2757
2763
10.1039/c0dt01282c
0.71073
MoKα
0.0596
0.0411
null
null
0.0985
0.1086
null
null
null
null
null
1.054
null
null
has coordinates
Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Sarkar, Biprajit; Hartenbach, Ingo; Fiedler, Jan; Kaim, Wolfgang 2,3-Bis(1-methylimidazol-2-yl)quinoxaline (bmiq), a new ligand with decoupled electron transfer and metal coordination sites: the very different redox behaviour of isoelectronic complexes with [PtCl2] an...
202,017
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $ #$Revision: 202017 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015150.cif $ #-------------------------------------------------------------------...
1,100,717
21.232
0.005
21.232
0.005
4.323
0.002
90
null
90
null
120
null
1,687.7
1
293
2
293
2
null
null
null
null
3
P 63/m
-P 6c
176
- Br3 La9 Sb16 -
- Br3 La9 Sb16 -
- Br6 La18 Sb32 -
2
0.166667
Chong Zheng; Hansjürgen Mattausch; Arndt Simon
La9Sb16Br3 and Ce9Sb16Cl3: Stars and Stripes in Rare Earth Halide and Intermetallic Compounds
Inorganic Chemistry
2,005
44
3684
3689
10.1021/ic049220u
0.71073
MoKα
0.0411
0.0411
null
null
0.0866
0.0866
null
null
null
null
null
1.608
null
null
has coordinates
Chong Zheng; Hansjürgen Mattausch; Arndt Simon La9Sb16Br3 and Ce9Sb16Cl3: Stars and Stripes in Rare Earth Halide and Intermetallic Compounds Inorganic Chemistry 44 (2005) 3684-3689
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100717.cif $ #-------------------------------------------------------------------...
1,100,718
20.8622
0.0016
20.8622
0.0016
4.2728
0.0007
90
null
90
null
120
null
1,610.5
0.3
293
2
293
2
null
null
null
null
3
P 63/m
-P 6c
176
- Ce9 Cl3 Sb16 -
- Ce9 Cl3 Sb16 -
- Ce18 Cl6 Sb32 -
2
0.166667
Chong Zheng; Hansjürgen Mattausch; Arndt Simon
La9Sb16Br3 and Ce9Sb16Cl3: Stars and Stripes in Rare Earth Halide and Intermetallic Compounds
Inorganic Chemistry
2,005
44
3684
3689
10.1021/ic049220u
0.71073
MoKα
0.0521
0.0519
null
null
0.1043
0.1044
null
null
null
null
null
1.486
null
null
has coordinates
Chong Zheng; Hansjürgen Mattausch; Arndt Simon La9Sb16Br3 and Ce9Sb16Cl3: Stars and Stripes in Rare Earth Halide and Intermetallic Compounds Inorganic Chemistry 44 (2005) 3684-3689
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100718.cif $ #-------------------------------------------------------------------...
1,100,719
13.3916
0.0005
13.4574
0.0005
20.1343
0.0007
73.226
0.001
86.07
0.001
64.368
0.001
3,125.6
0.2
141
2
141
2
null
null
null
null
6
P -1
-P 1
2
AMA232
- C67 H84 B2 Cu2 N8 O7 -
- C67 H84 B2 Cu2 N8 O7 -
- C134 H168 B4 Cu4 N16 O14 -
2
1
Aaron M. Appel; Rachel Newell; Daniel L. DuBois; M. Rakowski DuBois
Concentration of Carbon Dioxide by Electrochemically Modulated Complexation with a Binuclear Copper Complex
Inorganic Chemistry
2,005
44
3046
3056
10.1021/ic050023k
0.71073
MoKα
0.1163
0.0663
null
null
0.1515
0.1763
null
null
null
null
null
0.985
null
null
has coordinates,has disorder
Aaron M. Appel; Rachel Newell; Daniel L. DuBois; M. Rakowski DuBois Concentration of Carbon Dioxide by Electrochemically Modulated Complexation with a Binuclear Copper Complex Inorganic Chemistry 44 (2005) 3046-3056
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100719.cif $ #-------------------------------------------------------------------...
1,100,720
9.4708
0.0004
25.913
0.0011
31.6182
0.0013
90
null
101.79
0.001
90
null
7,595.9
0.6
141
2
141
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
Cu2(CO3)(tpmc)(BPh4)2
- C340.43 H348.62 B8 Cu8 N36.22 O20 -
- C340.432 H348.648 B8 Cu8 N36.216 O20 -
- C340.432 H348.648 B8 Cu8 N36.216 O20 -
1
0.25
Aaron M. Appel; Rachel Newell; Daniel L. DuBois; M. Rakowski DuBois
Concentration of Carbon Dioxide by Electrochemically Modulated Complexation with a Binuclear Copper Complex
Inorganic Chemistry
2,005
44
3046
3056
10.1021/ic050023k
0.71073
MoKα
0.1448
0.1092
null
null
0.2472
0.2644
null
null
null
null
null
1.159
null
null
has coordinates,has disorder
Aaron M. Appel; Rachel Newell; Daniel L. DuBois; M. Rakowski DuBois Concentration of Carbon Dioxide by Electrochemically Modulated Complexation with a Binuclear Copper Complex Inorganic Chemistry 44 (2005) 3046-3056
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100720.cif $ #-------------------------------------------------------------------...
1,100,721
3.3583
0.0004
3.3583
0.0004
14.3468
0.0019
90
null
90
null
120
null
140.13
0.03
293
2
293
2
null
null
null
null
3
R -3 m :H
-R 3 2"
166
Manganese carbodiimide
- C Mn N2 -
- C Mn N2 -
- C3 Mn3 N6 -
3
0.083333
Xiaohui Liu; Manuel Krott; Paul Müller; Chunhua Hu; Heiko Lueken; Richard Dronskowski
Synthesis, Crystal Structure, and Properties of MnNCN, the First Carbodiimide of a Magnetic Transition Metal
Inorganic Chemistry
2,005
44
3001
3003
10.1021/ic050050a
0.71073
MoKα
0.0251
0.0251
null
null
0.0593
0.0594
null
null
null
null
null
1.166
null
null
has coordinates
Xiaohui Liu; Manuel Krott; Paul Müller; Chunhua Hu; Heiko Lueken; Richard Dronskowski Synthesis, Crystal Structure, and Properties of MnNCN, the First Carbodiimide of a Magnetic Transition Metal Inorganic Chemistry 44 (2005) 3001-3003
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100721.cif $ #-------------------------------------------------------------------...
7,015,149
9.0875
0.0005
10.3843
0.0007
14.764
0.0008
90
null
105.664
0.003
90
null
1,341.5
0.14
100
1
100
1
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C16 H14 N6 -
- C16 H14 N6 -
- C64 H56 N24 -
4
1
Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Sarkar, Biprajit; Hartenbach, Ingo; Fiedler, Jan; Kaim, Wolfgang
2,3-Bis(1-methylimidazol-2-yl)quinoxaline (bmiq), a new ligand with decoupled electron transfer and metal coordination sites: the very different redox behaviour of isoelectronic complexes with [PtCl2] and [AuCl2]+.
Dalton transactions (Cambridge, England : 2003)
2,011
40
12
2757
2763
10.1039/c0dt01282c
0.71073
MoKα
0.0896
0.0634
null
null
0.1458
0.1626
null
null
null
null
null
1.079
null
null
has coordinates
Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Sarkar, Biprajit; Hartenbach, Ingo; Fiedler, Jan; Kaim, Wolfgang 2,3-Bis(1-methylimidazol-2-yl)quinoxaline (bmiq), a new ligand with decoupled electron transfer and metal coordination sites: the very different redox behaviour of isoelectronic complexes with [PtCl2] an...
301,847
2025-08-21
11:39:33
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/51/7015149.cif $ #-------------------------------------------------------------------...
1,100,722
12.531
0.003
12.531
0.003
18.476
0.011
90
null
90
null
120
null
2,512.5
1.7
153
2
153
2
null
null
null
null
6
P -6 2 c
P -6c -2c
190
- C33 H15 Cl4 Fe4 N3 O17 -
- C33 H15 Cl3.999 Fe4 N3 O17 -
- C66 H30 Cl7.998 Fe8 N6 O34 -
2
0.166667
Andrea C. Sudik; Adrien P. Côté; Omar M. Yaghi
Metal-Organic Frameworks Based on Trigonal Prismatic Building Blocks and the New "acs" Topology
Inorganic Chemistry
2,005
44
2998
3000
10.1021/ic050064g
0.71073
MoKα
0.1241
0.1044
null
null
0.2454
0.255
null
null
null
null
null
1.26
null
null
has coordinates
Andrea C. Sudik; Adrien P. Côté; Omar M. Yaghi Metal-Organic Frameworks Based on Trigonal Prismatic Building Blocks and the New "acs" Topology Inorganic Chemistry 44 (2005) 2998-3000
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100722.cif $ #-------------------------------------------------------------------...
1,100,723
13.01
0.004
13.01
0.004
14.874
0.009
90
null
90
null
120
null
2,180.3
1.6
153
2
153
2
null
null
null
null
5
P -6 2 c
P -6c -2c
190
C40.50 H18 Fe3 N3 O16
- C40.5 H18 Fe3 N3 O16 -
- C40.5 H18 Fe3 N3 O16 -
- C81 H36 Fe6 N6 O32 -
2
0.166667
Andrea C. Sudik; Adrien P. Côté; Omar M. Yaghi
Metal-Organic Frameworks Based on Trigonal Prismatic Building Blocks and the New "acs" Topology
Inorganic Chemistry
2,005
44
2998
3000
10.1021/ic050064g
0.71073
MoKα
0.1382
0.0651
null
null
0.1039
0.1193
null
null
null
null
null
1.004
null
null
has coordinates
Andrea C. Sudik; Adrien P. Côté; Omar M. Yaghi Metal-Organic Frameworks Based on Trigonal Prismatic Building Blocks and the New "acs" Topology Inorganic Chemistry 44 (2005) 2998-3000
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/1/10/07/1100723.cif $ #-------------------------------------------------------------------...
1,100,724
9.5809
0.0019
18.196
0.004
17.263
0.004
90
null
105.54
0.03
90
null
2,899.5
1.2
150
2
150
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C36 H30 N4 O3 -
- C36 H30 N4 O3 -
- C144 H120 N16 O12 -
4
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.1053
0.0574
null
null
0.1497
0.1667
null
null
null
null
null
1.105
null
null
has coordinates,has disorder
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100724.cif $ #-------------------------------------------------------------------...
1,100,725
10.188
0.002
22.928
0.005
13.624
0.003
90
null
93.11
0.03
90
null
3,177.7
1.2
150
2
150
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C33 H24 Cl4 Hg N4 O2 -
- C33 H24 Cl4 Hg N4 O2 -
- C132 H96 Cl16 Hg4 N16 O8 -
4
1
Tara J. Burchell; Richard J. Puddephatt
Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium
Inorganic Chemistry
2,005
44
3718
3730
10.1021/ic050097w
0.71073
MoKα
0.0607
0.0413
null
null
0.1103
0.117
null
null
null
null
null
1.09
null
null
has coordinates,has disorder
Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/10/07/1100725.cif $ #-------------------------------------------------------------------...