Information card for entry 4341828

Structure parameters

• Common name: U28Mo4P12
• Formula: Mo4 O211 P12 U28
• Calculated formula: Mo4 O211 P12 U28
• SMILES: [U]12345(=O)(=O)[O]6[U]789%10(=O)(=O)[O]([U]%11%12%13%14(=O)(=O)[O]7P(=O)([O-])[O]%10[U]7%10%15(=O)(=O)([O]8P6(=O)[O-])[O]6[U]8%16(=O)(=O)([O]%17[U]%18%19%20(=O)(=O)([O]%21[U]%22%23%24%25(=O)(=O)[O]%26[U]%27%28%29(=O)(=O)([O]%25P%21(=O)[O-])[O]%21[U]%25%30(=O)(=O)(O[Mo]%31(O[U]%32%33%34(=O)(=O)([O]%35[U]%36%37(=O)(=O)([O]%38[U]%39%40%41%42(=O)(=O)[O]([U]%43%44%45(=O)(=O)([O]%46[U]%47(=O)(=O)([O]%43%46)([O]%19[O]%20%47)([OH2])O[Mo](O[U]%19%20(=O)(=O)([O]%44[O]%45%19)([O]7[O]%15%20)[OH2])(O%16)=O)[O]%40P(=O)([O]%42[U]7%15%16(=O)(=O)([O]%19[U]%20%40(=O)(=O)([O]%42[U]%43%44(=O)(=O)([O]%45[U]%46%47%48%49(=O)(=O)[O]([U]%50%51%52(=O)(=O)([O]%53[U]%54%55(=O)(=O)([O]%50%53)([O]%50[U]%53(=O)(=O)([O]%22P(=O)([O]%18%23)[O-])([O]%24P%26(=O)[O-])([O]%18[U]%22(=O)(=O)([O]%12[O]%13%22)([OH2])([O]%53%18)O[Mo](O%55)(O[U]%12%13(=O)(=O)([O]%11[O]%14%12)([O]%51[O]%52%13)[OH2])=O)[O]%54%50)[OH2])[O]%46P%45(=O)[O-])P(=O)([O]%47[U]%11%12(=O)(=O)([O]%32[O]%33%12)([O]%25[O]%30%11)[O]%49P(=O)([O]%43%48)[O-])[O-])([O]%11[U]%12(=O)(=O)([O]2[O]3%12)([O]%44%11)([OH2])O[Mo](O[U]23(=O)(=O)([O]4[O]53)([O]7[O]%162)[OH2])(O%40)=O)[O]%20%42)([OH2])[O]%15%19)[O]%41P%38(=O)[O-])[O-])P(=O)([O]%36%39)[O-])([O]%34%35)[O]2[U]3(=O)(=O)([O]%372)([O]%28[O]%293)([OH2])O%31)[OH2])=O)([O]%27%21)[OH2])[O]8%17)([O]%106)[OH2])P(=O)([O]19)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Hybrid Uranium-Transition-Metal Oxide Cage Clusters.
• Authors of publication: Ling, Jie; Hobbs, Franklin; Prendergast, Steven; Adelani, Pius O.; Babo, Jean-Marie; Qiu, Jie; Weng, Zhehui; Burns, Peter C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141201075026001
• a: 20.7645 ± 0.0014 Å
• b: 20.7997 ± 0.0014 Å
• c: 34.591 ± 0.002 Å
• α: 76.443 ± 0.001°
• β: 80.917 ± 0.001°
• γ: 80.419 ± 0.001°
• Cell volume: 14210.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No