Crystallography Open Database

Information card for entry 4509821

Preview

Coordinates	4509821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H56 Cl2 N6 O10 Pt2 S2
Calculated formula	C47 H56 Cl2 N6 O10 Pt2 S2
SMILES	[Pt]12([n]3c(cccc3)S[Pt]3(Sc4[n]2cccc4)[n]2ccc(cc2c2[n]3ccc(c2)C(C)(C)C)C(C)(C)C)[n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.O
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	14.0251 ± 0.0011 Å
b	12.3473 ± 0.001 Å
c	34.0632 ± 0.0019 Å
α	90°
β	113.738 ± 0.003°
γ	90°
Cell volume	5399.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1412
Residual factor for significantly intense reflections	0.0961
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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.	4509821.cif
97512	2014-01-29	cif/ Adding structures of 4509816, 4509817, 4509818, 4509819, 4509820, 4509821 via cif-deposit CGI script.	4509821.cif