Information card for entry 2207918

Structure parameters

• Formula: H40 N2 Ni2 O44 V10
• Calculated formula: H40 N2 Ni2 O44 V10
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[V]1234(=O)O[V]567(=O)O[V]89(=O)(O1)O[V]1%10%11%12O[V]%13%14%15(O[V]%16%17(=O)(O[V]%18%19([O]%20%10%13%16[V]%10([O]1[V]1(O3)(=O)(O8)[O]479%12[V]%20(O2)([O]6%17)(O%19)[O]%101)(=O)(O%14)O%18)(=O)O%15)[O]5%11)=O.O.O.O.O.[NH4+].[NH4+]
• Title of publication: Diammonium bis[hexaaquanickel(II)] decavanadate tetrahydrate, (NH~4~)~2~[Ni(H~2~O)~6~]~2~V~10~O~28~·4H~2~O
• Authors of publication: Ai-Li Xie; Chun-An Ma; Lian-Bang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: i1 - i3
• a: 8.7728 ± 0.0018 Å
• b: 10.923 ± 0.002 Å
• c: 11.114 ± 0.002 Å
• α: 65.18 ± 0.03°
• β: 73.12 ± 0.03°
• γ: 70.64 ± 0.03°
• Cell volume: 897.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No