Crystallography Open Database

Information card for entry 4314694

Preview

Coordinates	4314694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 Cu N S2 Si2
Calculated formula	C44 H50 Cu N S2 Si2
Title of publication	Reactions of Monodithiolene Tungsten(VI) Sulfido Complexes with Copper(I) in Relation to the Structure of the Active Site of Carbon Monoxide Dehydrogenase
Authors of publication	Stanislav Groysman; Amit Majumdar; Shao-Liang Zheng; R. H. Holm
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1082 - 1089
a	9.448 ± 0.003 Å
b	9.582 ± 0.003 Å
c	12.742 ± 0.004 Å
α	94.349 ± 0.004°
β	96.6 ± 0.005°
γ	117.022 ± 0.004°
Cell volume	1010.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179224 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/46.	4314694.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314694.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314694.cif
7837	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314694 via cif-deposit CGI script.	4314694.cif