Crystallography Open Database

Information card for entry 7217762

Preview

Coordinates	7217762.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-(N-((3-oxy)-5-(hydroxymethyl)-2 -methylpyridin-4-yl)methylene)-4- hydroxylbenzhydrazonato-methanol- dioxo-molybdenum(VI) methanol solvate
Formula	C17 H21 Mo N3 O8
Calculated formula	C17 H21 Mo N3 O8
SMILES	C1(=N[N]2=Cc3c(cnc(c3O[Mo]2(O1)(=O)(=O)[OH]C)C)CO)c1ccc(cc1)O.CO
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	7.8373 ± 0.0005 Å
b	9.3588 ± 0.0004 Å
c	13.025 ± 0.003 Å
α	92.297 ± 0.008°
β	103.058 ± 0.005°
γ	95.262 ± 0.005°
Cell volume	924.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
180508 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/77.	7217762.cif
121959	2014-08-15	cif/ Adding structures of 7217757, 7217758, 7217759, 7217760, 7217761, 7217762 via cif-deposit CGI script.	7217762.cif