Crystallography Open Database

Information card for entry 1512807

Preview

Coordinates	1512807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 N4 O11 V2
Calculated formula	C20 H20 N4 O11 V2
SMILES	[V]12(Oc3ccc(N(=O)=O)cc3C=[N]2[C@H](CO1)C)(=O)O[V]12(Oc3ccc(N(=O)=O)cc3C=[N]2[C@H](CO1)C)=O
Title of publication	Chiral oxidovanadium(V) complexes with tridentate Schiff bases derived from S(+)-2-amino-1-propanol: Synthesis, structure, characterization and catalytic activity
Authors of publication	Grzegorz Romanowski; Tadeusz Lis
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	627 - 634
a	8.568 ± 0.003 Å
b	11.384 ± 0.004 Å
c	11.696 ± 0.004 Å
α	90°
β	96.06 ± 0.04°
γ	90°
Cell volume	1134.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512807.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512807.cif
90892	2013-11-20	cif/ Adding structures of 1512807 via cif-deposit CGI script.	1512807.cif