Crystallography Open Database

Information card for entry 4306922

Preview

Coordinates	4306922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 B Mo N6 O P S3
Calculated formula	C27 H32 B Mo N6 O P S3
Title of publication	Synthesis, Characterization, and Biomimetic Chemistry of cis-Oxosulfidomolybdenum(VI) Complexes Stabilized by an Intramolecular Mo(O)S...S Interaction
Authors of publication	Les J. Laughlin; Aston A. Eagle; Graham N. George; Edward R. T. Tiekink; Charles G. Young
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	939 - 948
a	10.153 ± 0.004 Å
b	20.993 ± 0.003 Å
c	13.985 ± 0.002 Å
α	90°
β	91.81 ± 0.02°
γ	90°
Cell volume	2979.3 ± 1.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.039
Goodness-of-fit parameter for significantly intense reflections	1.45
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4306922.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306922.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306922.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306922.cif