Crystallography Open Database

Information card for entry 1563919

Preview

Coordinates	1563919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Cl2 N4 O5 V
Calculated formula	C23 H21 Cl2 N4 O5 V
SMILES	[V]1234(OC(=N[N]3=C(C(=[N]4N=C(O1)c1ccc(Cl)cc1)C)C)c1ccc(Cl)cc1)(OC(=CC(=[O]2)C)C)=O
Title of publication	Ternary pentagonal-bipyramidal oxovanadium(V) complexes containing five- and six-membered chelate rings: Syntheses, structures and properties
Authors of publication	Srivastava, Ankit Kumar; Ghosh, Sabari; Jana, Subhendu; Pal, Samudranil
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	483
Pages of publication	329 - 336
a	7.192 ± 0.0004 Å
b	11.0218 ± 0.0006 Å
c	16.3414 ± 0.0009 Å
α	81.987 ± 0.002°
β	78.321 ± 0.002°
γ	84.245 ± 0.002°
Cell volume	1252.69 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
266985 (current)	2021-07-05	cif/ Adding structures of 1563916, 1563917, 1563918, 1563919, 1563920, 1563921 via cif-deposit CGI script.	1563919.cif