Crystallography Open Database

Information card for entry 4071006

Preview

Coordinates	4071006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H86 Cl6 Mn2 Mo4 O10 P2
Calculated formula	C69 H86 Cl6 Mn2 Mo4 O10 P2
Title of publication	Multisite Reactivity of the Unsaturated Methoxycarbyne Complex [Mo2(η5-C5H5)2(µ-COMe)(µ-PCy2)(µ-CO)]
Authors of publication	García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	2
Pages of publication	169
a	9.1962 ± 0.0017 Å
b	12.467 ± 0.002 Å
c	15.803 ± 0.003 Å
α	101.45 ± 0.003°
β	91.795 ± 0.003°
γ	90.698 ± 0.003°
Cell volume	1774.6 ± 0.6 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
178599 (current)	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 4/07/10.	4071006.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071006.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071006.cif
42977	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071006, 4071007, 4071008 via cif-deposit CGI script.	4071006.cif