Crystallography Open Database

Information card for entry 1515426

Preview

Coordinates	1515426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 Cl2 N5 O3 Pt S
Calculated formula	C13 H19 Cl2 N5 O3 Pt S
SMILES	[Pt]12([n]3c([nH]cc3)c3[n]2c(c2[n]1cc[nH]2)ccc3)Cl.[Cl-].O.O.S(C)(C)=O
Title of publication	Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility
Authors of publication	Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	2
Pages of publication	216
a	9.474 ± 0.0003 Å
b	7.1809 ± 0.0002 Å
c	27.9371 ± 0.0008 Å
α	90°
β	91.94 ± 0.001°
γ	90°
Cell volume	1899.52 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0483
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1515426.cif
111808	2014-04-28	cif/ Adding structures of 1515423, 1515424, 1515425, 1515426 via cif-deposit CGI script.	1515426.cif