Information card for entry 2225849

Structure parameters

• Chemical name: Hexasodium heptamolybdate(VI) 14-hydrate
• Formula: H28 Mo7 Na6 O38
• Calculated formula: H28 Mo7 Na6 O38
• SMILES: [Mo]123O[Mo]4(=O)(=O)O[Mo]5(=O)(=O)O[Mo](=O)(=O)(O5)(O1)O[Mo](=O)(=O)(O2)O[Mo]1(O[Mo](O3)(=O)(=O)(O4)O1)(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Redetermination of hexasodium heptamolybdate(VI) 14-hydrate
• Authors of publication: Hao, Lujiang; Chen, Jiangkui; Zhang, Xiaofei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: i34 - i35
• a: 21.1304 ± 0.0002 Å
• b: 10.3733 ± 0.0001 Å
• c: 15.6094 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3421.46 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes