Crystallography Open Database

Information card for entry 7222990

Preview

Coordinates	7222990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 N3 O6 V
Calculated formula	C25 H20 N3 O6 V
SMILES	[V]123([n]4c5c(cccc5O1)ccc4)(=O)Oc1c(cc(cc1)OC)C(C)=[N]2N=C(c1ccccc1O)O3
Title of publication	A family of mixed-ligand oxidovanadium(V) complexes with aroylhydrazone ligands: a combined experimental and computational study on the electronic effects of para substitutents of hydrazone ligands on the electronic properties, DNA binding and nuclease activities
Authors of publication	Ghosh, Tapas; Patra, Debashis; Biswas, Nirmalendu; Kumari, Bhavini; Das, Prolay; Sepay, Nayim; Chatterjee, Shamba K.; Drew, Michael G. B.
Journal of publication	RSC Adv.
Year of publication	2015
a	7.668 ± 0.003 Å
b	14.153 ± 0.006 Å
c	21.853 ± 0.01 Å
α	90°
β	96.86 ± 0.006°
γ	90°
Cell volume	2354.6 ± 1.7 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	0.1241
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1767
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222990.cif
169407	2015-10-21	cif/ Adding structures of 7222987, 7222988, 7222989, 7222990, 7222991 via cif-deposit CGI script.	7222990.cif