Crystallography Open Database

Information card for entry 1519246

1519245 << 1519246 >> 1519247

Preview

Coordinates	1519246.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(1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole-N3)- platinum(ii)
Authors of publication	Azam, A.; Maurya, M. R.; Naqvi, F.; Mata-Cardenas, B. D.; Cruz-Vega, D. E.; Garza, M. T. G.; Mayer, Thomas A.; Hursthouse, Michael B.; Coles, Simon J.; Bharti, N.
Journal of publication	Crystal Structure Report Archive
Year of publication	2000
Pages of publication	100
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519246.cif
135587	2015-05-06	cif/ Adding structures of 1519246 via cif-deposit CGI script.	1519246.cif