Information card for entry 2209881

Structure parameters

• Chemical name: 1,4-butanediamminium dihydrogendecavanadate
• Formula: C8 H30 N4 O28 V10
• Calculated formula: C8 H30 N4 O28 V10
• SMILES: C(CCC[NH3+])[NH3+].O1[V]234(=O)O[V]567(=O)O[V]89(O2)([OH]2[V]%10%11%12([O]9[V]9%13%14(O[V]%15%16(O%11)(=O)O[V]%11%17(O%10)(=O)O[V]%10%18(O%15)([OH]%13[V]%131([O]3689[V]2(O4)(O%11)([O]%12%14%16%17%10)[O]%18%13)(O7)=O)=O)O5)=O)=O.C(CCC[NH3+])[NH3+]
• Title of publication: Butane-1,4-diammonium dihydrogendecavanadate(V)
• Authors of publication: Rakovský, Erik; Gyepes, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1820 - m1822
• a: 10.2268 ± 0.0001 Å
• b: 16.7196 ± 0.0002 Å
• c: 18.2311 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3117.3 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes