Information card for entry 2212469

Structure parameters

• Chemical name: Bis(tetraethylammonium) bis(dimethylammonium) dihydrogendecavanadate
• Formula: C20 H58 N4 O28 V10
• Calculated formula: C20 H58 N4 O28 V10
• SMILES: C(C)[N+](CC)(CC)CC.[NH2+](C)C.O=[V]1234O[V]5678[O]9[V]%10%11%12([O]%13[V]%14%15%16%17[O]%18%19%207[V]7%21(O5)(O[V]%19(O[V]5%19%18([O]6[V]65(O1)([OH][V](O%16)([O]28%10%176)(O4)(O%12)=O)(=O)[O]%15%19)(=O)O7)(=O)(O%14)O[V]9%11%13%20([OH]%21)=O)=O)(O3)=O.C(C)[N+](CC)(CC)CC.[NH2+](C)C
• Title of publication: Bis(tetraethylammonium) bis(dimethylammonium) dihydrogendecavanadate(V)
• Authors of publication: Lian Chen; Cheng-Yang Yue; Da-Qiang Yuan; Fei-Long Jiang; Mao-Chun Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m675 - m677
• a: 22.342 ± 0.005 Å
• b: 17.134 ± 0.004 Å
• c: 11.673 ± 0.003 Å
• α: 90°
• β: 90.149 ± 0.003°
• γ: 90°
• Cell volume: 4468.5 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes