Information card for entry 2240838

Structure parameters

• Chemical name: Nonasodium dihydrogen nonavanadoplatinate(IV) trihydrogen nonavanadoplatinate(IV) tetracontahydrate
• Formula: H42.5 Na4.5 O48 Pt V9
• Calculated formula: H36.5 Na4.5 O48 Pt V9
• SMILES: O=[V]1234O[V]567(=O)O[V]89(=O)([OH]1)O[V]1%10(=O)(O5)[O]5[V]%11%12%13(O6)O[V]6%14%15(=O)O[V]%16%17(=O)(O[V]%18%19(=O)(O[V]%205(=O)(O6)[O]1[Pt]([OH]%18)([OH]8)([O]3%16)([O]%12%15%17%19%20)[O]479%10%13)O%14)[O]2%11.O=[V]1234O[V]567(=O)O[V]89(=O)([OH]1)O[V]1%10(=O)(O5)[O]5[V]%11%12%13(O6)O[V]6%14%15(=O)O[V]%16%17(=O)(O[V]%18%19(=O)(O[V]%205(=O)(O6)[O]1[Pt]([OH]%18)([OH]8)([O]3%16)([O]%12%15%17%19%20)[O]479%10%13)O%14)[O]2%11.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Double salt crystal structure of nonasodium dihydrogen nonavanadoplatinate(IV) trihydrogen nonavanadoplatinate(IV) tetracontahydrate: stepwise-protonated nonavanadoplatinate(IV)
• Authors of publication: Joo, Hea-Chung; Park, Ki-Min; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: 786 - 790
• a: 12.706 ± 0.001 Å
• b: 12.875 ± 0.001 Å
• c: 28.319 ± 0.002 Å
• α: 93.76 ± 0.001°
• β: 98.449 ± 0.001°
• γ: 113.318 ± 0.001°
• Cell volume: 4168.9 ± 0.5 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: 0.0782
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes