Crystallography Open Database

Information card for entry 1501682

Preview

Coordinates	1501682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 N2 O3 V
Calculated formula	C17 H16 N2 O3 V
Title of publication	Theoretical study of magnetic properties of oxovanadium(IV) complex self-assemblies with tetradentate Schiff base ligands.
Authors of publication	Matsuoka, Naoki; Tsuchimoto, Masanobu; Yoshioka, Naoki
Journal of publication	The journal of physical chemistry. B
Year of publication	2011
Journal volume	115
Journal issue	26
Pages of publication	8465 - 8473
a	11.905 ± 0.003 Å
b	17.238 ± 0.005 Å
c	7.529 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1545.1 ± 0.6 Å³
Cell temperature	298 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1501682.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501682.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501682.cif
35034	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501682 via cif-deposit CGI script.	1501682.cif