Crystallography Open Database

Information card for entry 2012944

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Structure parameters

Common name	Tetrakis(tetraethylammonium) cyclotetravanadate dihydrate
Chemical name	Tetrakis(tetraethylammonium) cyclo-tetra-μ-oxo-tetrakis[dioxovanadium(V)] dihydrate
Formula	C32 H84 N4 O14 V4
Calculated formula	C32 H84 N4 O14 V4
SMILES	C(C)[N+](CC)(CC)CC.C([N+](CC)(CC)CC)C.[O-][V]1(=O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])(=O)O1.O.C(C)[N+](CC)(CC)CC.C([N+](CC)(CC)CC)C.O
Title of publication	(Et~4~N)~4~[V~4~O~12~]·2H~2~O
Authors of publication	Nakano, Hiroyuki; Ozeki, Tomoji; Yagasaki, Atsushi
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	9
Pages of publication	m464 - m465
a	14.0187 ± 0.0003 Å
b	10.5729 ± 0.0002 Å
c	16.0212 ± 0.0004 Å
α	90°
β	103.836 ± 0.001°
γ	90°
Cell volume	2305.73 ± 0.09 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.125
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	0.915
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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