Crystallography Open Database

Information card for entry 4344716

Preview

Coordinates	4344716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.63 H34.63 Cl0.74 N4.63 O4 V
Calculated formula	C47.63 H34.63 Cl0.74 N4.63 O4 V
Title of publication	Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.
Authors of publication	Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	3
Pages of publication	1165 - 1182
a	11.8182 ± 0.0001 Å
b	19.0878 ± 0.0002 Å
c	16.5463 ± 0.0002 Å
α	90°
β	97.829 ± 0.001°
γ	90°
Cell volume	3697.78 ± 0.07 Å³
Cell temperature	406 ± 2 K
Ambient diffraction temperature	406 ± 2 K
Number of distinct elements	6
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	0.0463
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
175584 (current)	2016-02-04	cif/ Adding structures of 4344716 via cif-deposit CGI script.	4344716.cif