Crystallography Open Database

Information card for entry 4108013

Preview

Coordinates	4108013.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cp*2Mo2S2S(Bz)S(Me)] + C6H6
Formula	C34 H46 Mo2 S4
Calculated formula	C34 H46 Mo2 S4
Title of publication	Formation and Reactivity of a Persistent Radical in a Dinuclear Molybdenum Complex
Authors of publication	Aaron M. Appel; Suh-Jane Lee; James A. Franz; Daniel L. DuBois; M. Rakowski DuBois; Jerome C. Birnbaum; Brendan Twamley
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	8940 - 8951
a	10.5202 ± 0.0004 Å
b	12.5398 ± 0.0005 Å
c	26.2385 ± 0.001 Å
α	87.631 ± 0.002°
β	84.018 ± 0.002°
γ	78.866 ± 0.001°
Cell volume	3377 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178826 (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 4/10/80.	4108013.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108013.cif
56348	2012-05-10	cif/ Adding structures of 4108013 via cif-deposit CGI script.	4108013.cif