Crystallography Open Database

Information card for entry 4509819

Preview

Coordinates	4509819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H63 Cl2 N8 O9 Pt2 S2
Calculated formula	C52 H63 Cl2 N8 O9 Pt2 S2
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	11.7638 ± 0.001 Å
b	14.6474 ± 0.0013 Å
c	17.9254 ± 0.0016 Å
α	68.308 ± 0.002°
β	82.091 ± 0.002°
γ	87.821 ± 0.002°
Cell volume	2842.4 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4509819.cif
97512	2014-01-29	cif/ Adding structures of 4509816, 4509817, 4509818, 4509819, 4509820, 4509821 via cif-deposit CGI script.	4509819.cif