Information card for entry 2214002

Structure parameters

• Chemical name: Tris[(3-aminopropyl)dimethylammonium] decavanadate(V) hexahydrate
• Formula: C15 H60 N6 O34 V10
• Calculated formula: C15 H60 N6 O34 V10
• SMILES: O=[V]1234[O]5[V]678(=O)O[V]9%10%11(=O)O[V]%12%13%14(=O)O[V]%15(=O)(O6)(O9)O[V]69%16(O[V]%17%18(=O)(O[V]%19%20(=O)(O[V]%21(=O)(O1)(O%17)O[V]5(O%10)([O]%13%19)([O]8%11%14%159)[O]4%16%18%20%21)[O]%126)O2)[O]37.C[NH+](C)CCC[NH3+].C[NH+](C)CCC[NH3+].[NH+](C)(C)CCC[NH3+].O.O.O.O.O.O
• Title of publication: Tris[(3-aminopropyl)dimethylammonium] decavanadate(V) hexahydrate
• Authors of publication: Zhu, Chun-Yuan; Li, Yan-Tuan; Wu, Jian-Dong; Wu, Zhi-Yong; Wu, Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1777 - m1778
• a: 11.525 ± 0.002 Å
• b: 11.743 ± 0.002 Å
• c: 18.709 ± 0.004 Å
• α: 90.45 ± 0.03°
• β: 94.21 ± 0.03°
• γ: 117.29 ± 0.03°
• Cell volume: 2241.7 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes