Crystallography Open Database

Information card for entry 4327290

Preview

Coordinates	4327290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H28 Cl Mo N3 O3
Calculated formula	C29.5 H28 Cl Mo N3 O3
Title of publication	Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol
Authors of publication	Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	5455 - 5464
a	12.631 ± 0.0014 Å
b	17.211 ± 0.002 Å
c	24.356 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5294.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4327290.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327290.cif
61006	2012-06-20	cif/ Adding structures of 4327290 via cif-deposit CGI script.	4327290.cif