Crystallography Open Database

Information card for entry 8106765

Preview

Coordinates	8106765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 Cl4 N3 O5 V
Calculated formula	C25 H21 Cl4 N3 O5 V
SMILES	c1ccc2c3c4c(cc2)ccc[n]4[V]2([n]13)(OC(=CC(C)=[O]2)C)(=O)OC(=O)c1c(cccc1N)Cl.C(Cl)(Cl)Cl
Title of publication	Crystal structure of (acetylacetonato-κ2 O,O′)-(2-amino-6-chlorobenzoato-κO)-oxido(1,10-phenanthroline-κ2 N,N′)vanadium(IV) – trichloromethane (1/1)
Authors of publication	Yin, Ning; Wu, Qiong; Zhang, Heng-Qiang; Zhang, Qi-Ying
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	1045 - 1047
a	10.8055 ± 0.0005 Å
b	11.5657 ± 0.0006 Å
c	12.0494 ± 0.0006 Å
α	78.058 ± 0.001°
β	80.405 ± 0.002°
γ	69.388 ± 0.001°
Cell volume	1371.69 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0639
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
280869 (current)	2023-02-13	cif/ Adding structures of 8106765 via cif-deposit CGI script.	8106765.cif