Crystallography Open Database

Information card for entry 4331570

Preview

Coordinates	4331570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N3 O5 V
Calculated formula	C21 H20 N3 O5 V
SMILES	[V]12(Oc3ccccc3C=[N]2N=C(O1)c1ccccc1O)(=O)(OCC)[n]1ccccc1
Title of publication	Synthesis, Reactivity, and X-ray Crystal Structure of Some Mixed-Ligand Oxovanadium(V) Complexes: First Report of Binuclear Oxovanadium(V) Complexes Containing 4,4‘-Bipyridine Type Bridge
Authors of publication	Sutradhar, Manas; Mukherjee, Gurunath; Drew, Michael G. B.; Ghosh, Saktiprosad
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	13
Pages of publication	5150 - 5161
a	10.54 ± 0.012 Å
b	13.682 ± 0.015 Å
c	15.952 ± 0.017 Å
α	101.727 ± 0.01°
β	105.233 ± 0.01°
γ	101.823 ± 0.01°
Cell volume	2090 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0707
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331570.cif
97713	2014-01-29	cif/ Adding structures of 4331570 via cif-deposit CGI script.	4331570.cif