Crystallography Open Database

Information card for entry 7239444

Preview

Coordinates	7239444.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(5-methyl-4-benzoyl-2-p-tolyl-2,4-dihydro-pyrazol-3-one)V(IV) acetonitrile solvate
Formula	C38 H35 N5 O6 V
Calculated formula	C38 H35 N5 O6 V
Title of publication	Novel oxovanadium(iv) complexes with 4-acyl pyrazolone ligands: synthesis, crystal structure and catalytic activity towards the oxidation of benzylic alcohols
Authors of publication	Parihar, Sanjay; Jadeja, R. N.; Gupta, Vivek K.
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	20
Pages of publication	10295
a	17.2079 ± 0.0007 Å
b	11.4667 ± 0.0005 Å
c	18.6877 ± 0.0008 Å
α	90°
β	105.196 ± 0.004°
γ	90°
Cell volume	3558.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
244711 (current)	2019-11-28	cif/ Adding structures of 7239444 via cif-deposit CGI script.	7239444.cif