Crystallography Open Database

Information card for entry 8105675

Preview

Coordinates	8105675.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-{(E) [3-chloropropyl)imino]}-5-bromo phenol-oxovanadium(IV)
Formula	C20 H20 Br2 Cl2 N2 O3 V
Calculated formula	C20 H20 Br2 Cl2 N2 O3 V
SMILES	Brc1ccc2c(c1)C=[N](CCCCl)[V]1([N](=Cc3c(ccc(Br)c3)O1)CCCCl)(O2)=O
Title of publication	Crystal structure of bis(4-bromo-2-(((3-chloropropyl)imino)methyl)phenolato-κ2 N,O)-oxidovanadium(IV), C20H20Br2Cl2N2O3V
Authors of publication	Wei, Wei; Wu, Qiong; Zhang, Heng-Qiang; Liu, Rui; Chen, Hong-Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	3
Pages of publication	443 - 444
a	11.9615 ± 0.0008 Å
b	16.5865 ± 0.0007 Å
c	12.911 ± 0.001 Å
α	90°
β	115.879 ± 0.009°
γ	90°
Cell volume	2304.7 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
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	0.0681
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
276751 (current)	2022-07-11	cif/ Adding structures of 8105675 via cif-deposit CGI script.	8105675.cif