Information card for entry 2211122

Structure parameters

• Chemical name: Tris(propane-1,3-diammonium) decavanadate 5.5-hydrate
• Formula: C9 H47 N6 O33.5 V10
• Calculated formula: C9 H46 N6 O33.5 V10
• Title of publication: Tris(propane-1,3-diammonium) decavanadate 5.5-hydrate
• Authors of publication: Chun-Yuan Zhu; Yan-Tuan Li; Zhi-Yong Wu; Man Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3092 - m3095
• a: 14.1206 ± 0.0016 Å
• b: 14.49 ± 0.0016 Å
• c: 18.733 ± 0.002 Å
• α: 90°
• β: 95.609 ± 0.001°
• γ: 90°
• Cell volume: 3814.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes