Crystallography Open Database

Information card for entry 4074641

Preview

Coordinates	4074641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H66 Mo2 O8 P2 S4 W2
Calculated formula	C58 H66 Mo2 O8 P2 S4 W2
Title of publication	Activation of the S‒S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5
Authors of publication	Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	2
Pages of publication	440 - 446
a	25.9712 ± 0.0013 Å
b	27.1377 ± 0.0012 Å
c	17.1272 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	12071.2 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.393
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	4063295
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209984 (current)	2018-08-20	cif/4/ Updating bibliography in entries 4063295, 4074641. Marking entry 4074641 as a duplicate of entry 4063295.	4074641.cif
178635	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/46.	4074641.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074641.cif
48622	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074641 via cif-deposit CGI script.	4074641.cif