Information card for entry 4344600

Structure parameters

• Formula: Mo6 Na3 O38 P5
• Calculated formula: Mo6 Na3 O38 P5
• SMILES: [O]12P3(=O)[O]4[Mo]567(O[Mo]91(O[Mo]12(O[Mo]%10%11([O]3[Mo]3(O[Mo]4(O3)(O7)(=O)OP(O5)(=O)[O-])(O%10)(=O)OP(O%11)(=O)[O-])(O1)=O)(=O)OP(O9)(=O)[O-])(=O)O6)=O.P(=O)([O-])([O-])[O-].[Na+].O.O.[Na+].O.[Na+]
• Title of publication: Structure and Solution Speciation of U(IV) Linked Phosphomolybdate (Mo(V)) Clusters.
• Authors of publication: Deb, Tapash; Zakharov, Lev; Falaise, Clément; Nyman, May
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 755 - 761
• a: 12.121 ± 0.003 Å
• b: 12.655 ± 0.003 Å
• c: 13.29 ± 0.003 Å
• α: 108.612 ± 0.005°
• β: 115.266 ± 0.004°
• γ: 93.77 ± 0.005°
• Cell volume: 1697.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No