Information card for entry 4344599

Structure parameters

• Formula: Mo12 Na3 O66 P8 U
• Calculated formula: Mo12 Na3 O66 P8 U
• SMILES: [U]12(OP3(=O)O[Mo]456([Mo]78(O4)(O[Mo]49(O[Mo]%10%11(=O)(O[Mo]%12%13(O[Mo](O%12)(O5)(O3)(=O)[O]=P([O]89)(O1)[O]%11%13)(=O)OP(=O)(O%10)=O)O4)(=O)OP(=O)(O7)=O)(=O)O6)=O)(=O)(=O)(OP1(=O)O[Mo]345([Mo]67(O3)(O[Mo]38(O[Mo]9%10(=O)(O[Mo]%11%12(O[Mo](O%11)(O4)(O1)(=O)[O]=P([O]78)(O2)[O]%10%12)(=O)OP(=O)(O9)=O)O3)(=O)OP(=O)(O6)=O)(=O)O5)=O)(=O)=O.[Na+].[Na+].[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: 36.094 ± 0.008 Å
• b: 12.801 ± 0.003 Å
• c: 23.336 ± 0.006 Å
• α: 90°
• β: 127.526 ± 0.01°
• γ: 90°
• Cell volume: 8551 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.14
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.2788
• Weighted residual factors for all reflections included in the refinement: 0.3016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No