Crystallography Open Database

Information card for entry 4321344

Preview

Coordinates	4321344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 Cl2 N O2 V
Calculated formula	C8 H10 Cl2 N O2 V
SMILES	[V]1(Cl)(Cl)(=O)OC(c2[n]1cccc2)(C)C
Title of publication	Vanadium(IV) and -(V) Complexes with O,N-Chelating Aminophenolate and Pyridylalkoxide Ligands
Authors of publication	Henk Hagen; Chris Bezemer; Jaap Boersma; Huub Kooijman; Martin Lutz; Anthony L. Spek; Gerard van Koten
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3970 - 3977
a	11.8576 ± 0.0012 Å
b	12.671 ± 0.0013 Å
c	14.722 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2211.9 ± 0.4 Å³
Cell temperature	225 K
Ambient diffraction temperature	225 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	0.0944
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179316 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/13.	4321344.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321344.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321344.cif
18695	2011-05-03	../uploads/cif-deposit/cod/cif Adding structures of 4321344 via cif-deposit CGI script.	4321344.cif