Crystallography Open Database

Information card for entry 4305584

Preview

Coordinates	4305584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H95 N19 O40.5 V4
Calculated formula	C41 H80 N19 O40.744 V4
Title of publication	Solid State and Aqueous Solution Characterization of Rectangular Tetranuclear VIV/V-p-Semiquinonate/Hydroquinonate Complexes Exhibiting a Proton Induced Electron Transfer
Authors of publication	Chryssoula Drouza; Anastasios D. Keramidas
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	7211 - 7224
a	14.0245 ± 0.0004 Å
b	15.1826 ± 0.0005 Å
c	19.6243 ± 0.0007 Å
α	94.517 ± 0.003°
β	101.466 ± 0.003°
γ	107.133 ± 0.003°
Cell volume	3871.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.087
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.178
Weighted residual factors for all reflections included in the refinement	0.1895
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4305584.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305584.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305584.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305584.cif