Crystallography Open Database

Information card for entry 4111428

Preview

Coordinates	4111428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H29 Cl P2 Pt S
Calculated formula	C32 H29 Cl P2 Pt S
SMILES	c1ccc([P]([Pt]2(SCC[P]2(c2ccccc2)c2ccccc2)Cl)(c2ccccc2)c2ccccc2)cc1
Title of publication	On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase
Authors of publication	P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	1933 - 1945
a	11.84 ± 0.005 Å
b	14.971 ± 0.007 Å
c	16.114 ± 0.007 Å
α	90°
β	90.842 ± 0.008°
γ	90°
Cell volume	2856 ± 2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0832
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	1.195
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
178885 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/14.	4111428.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111428.cif
63027	2012-07-13	cif/ Adding structures of 4111428 via cif-deposit CGI script.	4111428.cif