Crystallography Open Database

Information card for entry 4063469

Preview

Coordinates	4063469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H39 B Mo2 S4
Calculated formula	C37 H30 B Mo2 S4
Title of publication	Carbon‒Sulfur and Carbon‒Halogen Bond Cleavage of Acyclic or Cyclic Thioethers, Thiophenes, and Dihaloalkanes with the Trithiolato-Bridged Cation [Mo2Cp2(μ-SMe)3(MeCN)2]+
Authors of publication	Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	2
Pages of publication	448 - 462
a	14.6955 ± 0.0004 Å
b	14.6955 ± 0.0004 Å
c	7.7749 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1679.05 ± 0.11 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
178529 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/34.	4063469.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063469.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063469.cif
19536	2011-05-17	../uploads/cif-deposit/cod/cif Adding structures of 4063468, 4063469, 4063470, 4063471, 4063472 via cif-deposit CGI script.	4063469.cif