Crystallography Open Database

Information card for entry 4321345

Preview

Coordinates	4321345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H47 N3 O3 V
Calculated formula	C28 H37 N3 O2 V
SMILES	[V]12(Oc3c(cc(cc3C)C)C[N]1(C)C)(Oc1c(cc(cc1C)C)C[N]2(C)C)=Nc1ccccc1
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	11.1557 ± 0.0006 Å
b	12.5744 ± 0.0012 Å
c	13.1051 ± 0.0014 Å
α	64.244 ± 0.008°
β	70.472 ± 0.007°
γ	87.95 ± 0.006°
Cell volume	1547.4 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1135
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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.	4321345.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321345.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321345.cif
18696	2011-05-03	../uploads/cif-deposit/cod/cif Adding structures of 4321345 via cif-deposit CGI script.	4321345.cif