Crystallography Open Database

Information card for entry 4509816

Preview

Coordinates	4509816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 Cl2 N6 O8 Pt2 S4
Calculated formula	C50 H56 Cl2 N6 O8 Pt2 S4
Title of publication	Structural Isomerism of Luminescent Dinuclear Pt(II)-Thiolate Diimines
Authors of publication	Tzeng, Biing-Chiau; Chiu, Tse-Hao; Lin, Sun-Yi; Yang, Chieh-Min; Chang, Tsung-Yi; Huang, Cyong-Huei; Chang, A. Hsiu-Hua; Lee, Gene-Hsiang
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	12
Pages of publication	5356
a	12.0789 ± 0.0007 Å
b	12.0789 ± 0.0007 Å
c	76.793 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	11204.1 ± 1.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1421
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
179634 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/98.	4509816.cif
97512	2014-01-29	cif/ Adding structures of 4509816, 4509817, 4509818, 4509819, 4509820, 4509821 via cif-deposit CGI script.	4509816.cif