Information card for entry 2206345

Structure parameters

• Chemical name: poly[penta-μ-aqua-tetraaqua-μ-decavanadato-lithium(I)disodium(I)]
• Formula: H36 Li2 Na4 O46 V10
• Calculated formula: H36 Li2 Na4 O46 V10
• SMILES: [V]1234(=O)O[V]567(=O)[O]89%102[V]2%11([O]%12[V]%13%14%15(O[V]%16%17%18(=O)O[V]%199%12(O[V]8(O3)(O5)(O2)=O)[O]6[V]23([O]7[V]5%10([O]%11%13)(O4)[O]%14%17%192[V](O%18)(O%15)(O5)(O3)=O)(=O)O%16)=O)(=O)O1.[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Li+].[Li+]
• Title of publication: Polymeric bis(lithium disodium nonahydrate) decavanadate, {[LiNa~2~(H~2~O)~9~]~2~[V~10~O~28~]}~<i>n~</i>
• Authors of publication: Chun-An Ma; Ai-Li Xie; Lian-Bang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: i185 - i187
• a: 8.5386 ± 0.0006 Å
• b: 10.6333 ± 0.0007 Å
• c: 11.8912 ± 0.0006 Å
• α: 105.636 ± 0.003°
• β: 101.852 ± 0.003°
• γ: 99.257 ± 0.003°
• Cell volume: 990.39 ± 0.11 ų
• Cell temperature: 273 ± 1 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 significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No