Information card for entry 2013242

Structure parameters

• Common name: tricopper decavanadate icositetrahydrate
• Formula: Cu3 H48 O52 V10
• Calculated formula: Cu3 H48 O52 V10
• SMILES: [Cu]([OH2])([OH2])([OH2])[OH2].O=[V]1234O[V]5678O[V]9%10%11(=O)O[V]%12%13%14(=O)O[V]%15%16%17%18O[V]%19%20(=O)(O1)O[V]1%21(=O)(O2)[O]%15[V](=O)(O%13)(O%10)([O]61)[O]7%11%14%17[V]1(=O)(O%12)(O9)[O]5[V](=O)(O3)(O%19)([O]%161)[O]48%18%20%21.[Cu]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Cu]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O
• Title of publication: Cu~3~V~10~O~28~·24H~2~O and CuNa~4~V~10~O~28~·23H~2~O
• Authors of publication: Iida, Akifumi; Ozeki, Tomoji
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: i41 - i44
• a: 8.8567 ± 0.0005 Å
• b: 10.7189 ± 0.0006 Å
• c: 11.5492 ± 0.0007 Å
• α: 104.662 ± 0.002°
• β: 95.579 ± 0.003°
• γ: 102.064 ± 0.003°
• Cell volume: 1024.14 ± 0.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.342
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes