Crystallography Open Database

Information card for entry 1515425

Preview

Coordinates	1515425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 Cl2 N5 O4 Pt
Calculated formula	C13 H13 Cl2 N5 O4 Pt
SMILES	c1n([n]2c(c1)c1cccc3c4[n]([Pt]2(Cl)[n]13)n(cc4)C)C.[O-]Cl(=O)(=O)=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	10.669 ± 0.002 Å
b	10.411 ± 0.002 Å
c	15.689 ± 0.003 Å
α	90°
β	108.89 ± 0.03°
γ	90°
Cell volume	1648.8 ± 0.6 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 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	0.0201
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
194547 (current)	2017-03-27	cif/1 Fixing some wrong Z values and formulae	1515425.cif
176729	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.	1515425.cif
111808	2014-04-28	cif/ Adding structures of 1515423, 1515424, 1515425, 1515426 via cif-deposit CGI script.	1515425.cif