Crystallography Open Database

Information card for entry 4064207

Preview

Coordinates	4064207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H37 Mo2 O2 P
Calculated formula	C31 H37 Mo2 O2 P
Title of publication	Binuclear Carbyne and Ketenyl Derivatives of the Alkyl-Bridged Complexes [Mo2(η5-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph)
Authors of publication	Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Martínez, M. Eugenia; Ruiz, Miguel A.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	8
Pages of publication	2189
a	9.9779 ± 0.0003 Å
b	9.9779 ± 0.0003 Å
c	28.4996 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2837.38 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation probe	x-ray
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
178536 (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 4/06/42.	4064207.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064207.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064207.cif
32816	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064207, 4064208, 4064209 via cif-deposit CGI script.	4064207.cif