Crystallography Open Database

Information card for entry 1519916

1519915 << 1519916 >> 1519917

Preview

Coordinates	1519916.cif

Structure parameters

Formula	C12 H18 Cl2 N6 O6 Pt
Calculated formula	C12 H18 Cl2 N6 O6 Pt
SMILES	[Pt](Cl)(Cl)([n]1c(n(CCO)c(N(=O)=O)c1)C)[n]1c(n(CCO)c(N(=O)=O)c1)C
Title of publication	trans-Dichloro-bis(metronidazole)-platinum(II)
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Maurya, M. R.; Azam, A.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	605
a	6.9169 ± 0.0014 Å
b	21.853 ± 0.004 Å
c	6.7218 ± 0.0013 Å
α	90°
β	110.79 ± 0.03°
γ	90°
Cell volume	949.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	1519916.cif
137249	2015-05-22	cif/ Adding structures of 1519916 via cif-deposit CGI script.	1519916.cif