Information card for entry 2012987

Structure parameters

• Chemical name: bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate tetrahydrate
• Formula: H44 Na2 Ni2 O50 V10
• Calculated formula: Na2 Ni2 O50 V10
• SMILES: O=[V]1234O[V]567(O[V]89%10%11[O]%12[V]%13%14([O]%15[V]%16%17%12([O]%12%18%198[V]8%20%15([O]3[V]3%19([O]2%10)(O[V]%12(O%16)(O8)(=O)O[V]%18(O9)(O%17)(=O)O3)=O)[O]47%11%14[V](O1)(O5)(=O)(O%13)O%20)=O)(O6)=O)=O.[Na+].[OH2][Ni]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.[Na+].O.O.O.O
• Title of publication: [Ni(H~2~O)~6~]~2~[Na(H~2~O)~3~]~2~[V~10~O~28~]·4H~2~O, bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate tetrahydrate
• Authors of publication: Higami, Tomoyuki; Hashimoto, Masato; Okeya, Seichi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: i144 - i146
• a: 10.836 ± 0.002 Å
• b: 12.606 ± 0.002 Å
• c: 8.331 ± 0.001 Å
• α: 93.19 ± 0.02°
• β: 99.83 ± 0.02°
• γ: 109.65 ± 0.02°
• Cell volume: 1048.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.146
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes