Crystallography Open Database

Information card for entry 7218101

Preview

Coordinates	7218101.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4,4',4''-((1E,1'E,1''E)-((nitrilotris(ethane-2,1-diyl))tris (azanylylidene))tris(methanylylidene))tris(3-methyl-1- (p-tolyl)-1H-pyrazol-5-ol)vanadium(III)
Formula	C45 H52 N11 O4 V
Calculated formula	C45 H52.02 N11 O3.99 V
Title of publication	C3 Symmetric vanadium(III) complexes with O,N-chelating hexadentate tripodal ligands of pyrazolone
Authors of publication	Jadeja, Rajendrasinh; Parihar, Sanjay; Gupta, Vivek
Journal of publication	RSC Adv.
Year of publication	2014
a	15.5913 ± 0.0004 Å
b	15.5913 ± 0.0004 Å
c	10.147 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	2136.16 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180512 (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 7/21/81.	7218101.cif
123735	2014-09-12	cif/ Adding structures of 7218099, 7218100, 7218101 via cif-deposit CGI script.	7218101.cif