Crystallography Open Database

Information card for entry 8107622

Preview

Coordinates	8107622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 Cl N2 O3 Pt S
Calculated formula	C13 H13 Cl N2 O3 Pt S
SMILES	[Pt]1(c2c(c3[n]1cc(N(=O)=O)cc3)cccc2)(Cl)[S](=O)(C)C
Title of publication	Crystal structure of chlorido-(5-nitro-2-phenylpyridine-κ2 N,C)-[(methylsulfinyl)methane-κ1 S]platinum(II), C13H13ClN2O3PtS
Authors of publication	Zou, Hao; Tan, Wei; Zhang, Jian-Guo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	5
Pages of publication	999 - 1000
a	7.9405 ± 0.0008 Å
b	18.0744 ± 0.0018 Å
c	21.513 ± 0.002 Å
α	90°
β	98.781 ± 0.001°
γ	90°
Cell volume	3051.4 ± 0.5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
286925 (current)	2023-10-12	cif/ Adding structures of 8107622 via cif-deposit CGI script.	8107622.cif