Crystallography Open Database

Information card for entry 4069697

Preview

Coordinates	4069697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 Co2 Mo2 O7 P
Calculated formula	C30 H35 Co2 Mo2 O7 P
Title of publication	Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 5. Heterometallic Clusters Derived from the Neutral Complex [Mo2(η5-C5H5)2(μ-COMe)(μ-PCy2)(μ-CO)]
Authors of publication	García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4385
a	9.887 ± 0.002 Å
b	16.178 ± 0.003 Å
c	10.307 ± 0.002 Å
α	90°
β	114.51 ± 0.003°
γ	90°
Cell volume	1500.1 ± 0.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation probe	x-ray
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
178585 (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 4/06/96.	4069697.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069697.cif
40397	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069697, 4069698 via cif-deposit CGI script.	4069697.cif