Crystallography Open Database

Information card for entry 7217757

Preview

Coordinates	7217757.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(cis-(NCsp^3^'-((3-oxy)-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzhydrazonato-dioxo-molybdenum(VI)) (μU~eq~6-oxo)-dodecakis(μU~eq~2-oxo)-hexa(oxomolybdenum) acetonitrile solvate (1/2)
Formula	C17 H17 Mo4 N4 O14.5
Calculated formula	C17 H17 Mo4 N4 O14.5
Title of publication	Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions
Authors of publication	Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja
Journal of publication	RSC Advances
Year of publication	2014
a	16.04016 ± 0.00012 Å
b	16.04016 ± 0.00012 Å
c	17.79763 ± 0.00016 Å
α	90°
β	90°
γ	120°
Cell volume	3965.61 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0456
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7217757.cif
121959	2014-08-15	cif/ Adding structures of 7217757, 7217758, 7217759, 7217760, 7217761, 7217762 via cif-deposit CGI script.	7217757.cif