Crystallography Open Database

Information card for entry 4307305

Preview

Coordinates	4307305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 Na6 O26 S2 V
Calculated formula	C12 H30 Na6 O26 S2 V
SMILES	S(=O)(=O)([O-])[O-].[V]1234(OC5C(C(C(C(C5O)O1)O)O2)O)OC1C(C(C(C(C1O)O3)O)O4)O.[Na+].O.[Na+].[Na+].[Na+].[O-]S(=O)(=O)[O-].O.O.[Na+].[Na+].O.O.O
Title of publication	Synthesis and Characterization of Vanadium(IV) Complexes with cis-Inositol in Aqueous Solution and in the Solid-State
Authors of publication	Bernd Morgenstern; Barbara Kutzky; Christian Neis; Stefan Stucky; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3903 - 3915
a	9.548 ± 0.001 Å
b	9.548 ± 0.001 Å
c	27.314 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	2156.5 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.1723
Goodness-of-fit parameter for all reflections included in the refinement	1.166
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
179111 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/73.	4307305.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307305.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307305.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307305.cif