Crystallography Open Database

Information card for entry 4303066

Preview

Coordinates	4303066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 N2 O14 V2
Calculated formula	C16 H28 N2 O14 V2
SMILES	[N+](C)(C)(C)C.O=[V]123O[C@H]([C@@H]4C(=O)O[V]5(=O)(O4)O[C@@H]([C@@H](C(=O)O3)O2)C(=O)O5)C(=O)O1.[N+](C)(C)(C)C
Title of publication	Stereospecific Formation of Dinuclear Vanadium(V) Tartrato Complexes
Authors of publication	Jana Gáliková; Peter Schwendt; Jozef Tatiersky; Alan S. Tracey; Zdirad Žák
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8423 - 8430
a	7.5271 ± 0.0006 Å
b	9.2238 ± 0.0008 Å
c	9.9377 ± 0.0008 Å
α	68.55 ± 0.01°
β	86.61 ± 0.01°
γ	66.38 ± 0.01°
Cell volume	585.27 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0291
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179068 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/30.	4303066.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303066.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303066.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	4303066.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303066.cif