Information card for entry 2012944

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 ų
• 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 Fobs: Yes