Information card for entry 2019954

Structure parameters

• Common name: Rubidium sodium decavanadate
• Chemical name: Tetrarubidium hexaaquasodium hydrogen decavanadate tetrahydrate,
• Formula: H21 Na O38 Rb4 V10
• Calculated formula: H21 Na O38 Rb4 V10
• SMILES: [Rb+].O=[V]1234[OH][V]567(=O)O[V]89(O[V]%10%11%12%13O[V]%14%15%16(O[V]%17%18%19([O]%12[V]%12([O]168%11[V]16([O]8%13%14%17[V](O%18)(=O)(O1)(O[V]8([O]5%10)([OH]%15)(=O)[O]76)O%16)([O]%19%12)O3)(O9)(O2)=O)=O)=O)(O4)=O.[Rb+].O.[Rb+].O.[Na]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Rb+].O.O
• Title of publication: One-dimensional decavanadate chains in the crystal structure of Rb~4~[Na(H~2~O)~6~][HV~10~O~28~]·4H~2~O
• Authors of publication: Yakubovich, Olga V.; Steele, Ian M.; Yakovleva, Ekaterina V.; Dimitrova, Olga V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• a: 10.7971 ± 0.0005 Å
• b: 11.0286 ± 0.0005 Å
• c: 13.7963 ± 0.0006 Å
• α: 90°
• β: 94.45 ± 0.0016°
• γ: 90°
• Cell volume: 1637.87 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.702
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes