Crystallography Open Database

Information card for entry 4068475

Preview

Coordinates	4068475.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cp*2Mo2S2S(H)S(Me)]
Formula	C21 H34 Mo2 S4
Calculated formula	C21 H33 Mo2 S4
Title of publication	Determination of S−H Bond Strengths in Dimolybdenum Tetrasulfide Complexes
Authors of publication	Appel, Aaron M.; Lee, Suh-Jane; Franz, James A.; DuBois, Daniel L.; Rakowski DuBois, M.; Twamley, Brendan
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	749
a	8.1814 ± 0.0003 Å
b	14.4649 ± 0.0005 Å
c	10.7065 ± 0.0004 Å
α	90°
β	108.809 ± 0.001°
γ	90°
Cell volume	1199.38 ± 0.08 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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	0.0246
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
178574 (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 4/06/84.	4068475.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068475.cif
39783	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068475 via cif-deposit CGI script.	4068475.cif