Crystallography Open Database

Information card for entry 8107178

Preview

Coordinates	8107178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cl4 N2 O3 V
Calculated formula	C18 H16 Cl4 N2 O3 V
SMILES	c12ccc(cc1C=[N](CCCl)[V]1([N](=Cc3c(ccc(c3)Cl)O1)CCCl)(O2)=O)Cl
Title of publication	The crystal structure of bis(4-chloro-2-(((2-chloroethyl)imino)methyl)phenolato-κ2 N,O)-oxidovanadium(IV), C18H16Cl4N2O3V
Authors of publication	Wei, Wei; Zhang, Ya-Zhai; Zhang, Heng-Qiang; Zhang, Qi-Ying; Xuan, Zhao-Kun; Chen, Hong-Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	651 - 653
a	7.8555 ± 0.0003 Å
b	21.6645 ± 0.0007 Å
c	23.7584 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4043.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
283680 (current)	2023-05-11	cif/ Adding structures of 8107178 via cif-deposit CGI script.	8107178.cif