Crystallography Open Database

Information card for entry 4328478

Preview

Coordinates	4328478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C175 H186 Cl14 O32 P12 V6
Calculated formula	C175 H185.984 Cl14 O31.992 P12 V6
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	26.63 ± 0.01 Å
b	20.903 ± 0.008 Å
c	16.779 ± 0.007 Å
α	90°
β	90.804 ± 0.009°
γ	90°
Cell volume	9339 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1822
Weighted residual factors for all reflections included in the refinement	0.2125
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328478.cif
77456	2013-03-28	cif/ Adding structures of 4328478 via cif-deposit CGI script.	4328478.cif