Crystallography Open Database

Information card for entry 4109299

Preview

Coordinates	4109299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H42 As2 Cl8 Pt2 S2
Calculated formula	C50 H42 As2 Cl8 Pt2 S2
SMILES	[As](c1ccccc1)([Pt]1(Cl)[S](c2ccccc2)[Pt]([S]1c1ccccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Alkylthio Bridged 44 cve Triangular Platinum Clusters: Synthesis, Oxidation, Degradation, Ligand Substitution, and Quantum Chemical Calculations
Authors of publication	Christian Albrecht; Sebastian Schwieger; Clemens Bruhn; Christoph Wagner; Ralph Kluge; Harry Schmidt; Dirk Steinborn
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	4551 - 4566
a	9.194 ± 0.002 Å
b	17.693 ± 0.003 Å
c	16.586 ± 0.004 Å
α	90°
β	99.37 ± 0.03°
γ	90°
Cell volume	2662 ± 1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
178838 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92.	4109299.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109299.cif
58064	2012-05-24	cif/ Adding structures of 4109299 via cif-deposit CGI script.	4109299.cif