Information card for entry 2014945

Structure parameters

• Chemical name: poly[octa-μ-aqua-ocataqua-μ-decavanadato-hexalithium]
• Formula: H32 Li6 O44 V10
• Calculated formula: H32 Li6 O44 V10
• SMILES: [V]1234(O[V]567([O]89%103[V]3(O2)(=O)([O]2[V]%11%128(O[V]8%13%14(O[V]%15%16%17(O[V]%182(=O)(O8)[O]2%11%14%16[V]8(O%13)(O%15)(=O)[O]%12[V]%10(O1)(O5)([O]8[V]92([O]3%18)(O7)O%17)=O)=O)=O)O4)O6)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
• Title of publication: Hexalithium hexadecahydrate decavanadate, [Li~6~(H~2~O)~16~V~10~O~28~]~<i>n~</i>
• Authors of publication: Ai-Li Xie; Chun-An Ma
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: i67 - i68
• a: 17.6164 ± 0.0002 Å
• b: 10.3189 ± 0.0001 Å
• c: 9.2348 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1678.72 ± 0.06 ų
• Cell temperature: 273 ± 1 K
• Number of distinct elements: 4
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No