Crystallography Open Database

Information card for entry 4328479

Preview

Coordinates	4328479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87.91 H88.34 N0.78 O15.22 P6 V3
Calculated formula	C87.91 H88.346 N0.782 O15.218 P6 V3
Title of publication	Syntheses, X-ray Structural Characterizations, and Thermal Stabilities of Two Nonclassical Trinuclear Vanadium(IV) Complexes, (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(H2O) and (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(py), and Polymeric Complexes of Stoichiometry (VO(O2PR2)2)\ιnfty, R2 = Ph2 and o-(CH2)2(C6H4)
Authors of publication	John S. Maass; Zhichao Chen; Matthias Zeller; Floriana Tuna; Richard E. P. Winpenny; Rudy L. Luck
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2766 - 2776
a	13.1842 ± 0.0008 Å
b	13.7341 ± 0.0009 Å
c	13.9398 ± 0.0009 Å
α	108.063 ± 0.001°
β	103.954 ± 0.001°
γ	110.953 ± 0.001°
Cell volume	2057.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation probe	x-ray
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.	4328479.cif
77457	2013-03-28	cif/ Adding structures of 4328479 via cif-deposit CGI script.	4328479.cif