Crystallography Open Database

Information card for entry 1520197

1520196 << 1520197 >> 1520198

Preview

Coordinates	1520197.cif

Structure parameters

Formula	C26 H20 Cl2 N6 O Pt S
Calculated formula	C26 H22 Cl2 N6 O Pt S
SMILES	[Pt]1(Cl)(Cl)[n]2c([nH]c3c2cccc3)c2cccnc2c2[n]1cccc2c1nc2ccccc2[nH]1.S(=O)(C)C
Title of publication	Platinum 3,3'-bis-(benzimidazol-2-yl)-2,2'-bipyridine dichloride.DMSO
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Sengul, Abdurrahaman
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	509
a	9.9136 ± 0.0003 Å
b	12.5634 ± 0.0003 Å
c	12.8377 ± 0.0003 Å
α	109.77 ± 0.001°
β	111.154 ± 0.001°
γ	101.671 ± 0.001°
Cell volume	1303.93 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520197.cif
137656	2015-06-02	cif/ Adding structures of 1520197 via cif-deposit CGI script.	1520197.cif