Information card for entry 4341830

Structure parameters

• Common name: U48W6P48
• Formula: O430 P48 U48 W6
• Calculated formula: O430 P48 U48 W6
• SMILES: [O]12[U]3456(=O)([O]7[U]89([O]%10[U]%11%12([O]%13P%14(=O)O[U]%15%16%17([O]%18[W]%10([O]9[U]9%10%18([O]%18P(=O)(O[U]%19%20%18(=O)([O]9P(=O)(O%19)[O-])(=O)[O]9[U]%18%19%21(=O)([O]%22P(=O)(O%19)O[U]%19%23%24([O]%25[W]%26%27([O]%28[U]%29%30%31(OP%32(=O)O[U]%33%34%35%36([O]%37[U]%38%39%40(=O)([O]%41P(=O)(O%39)O[U]%39%42%43([O]%44[W]%45%46([O]%47[U]%48%49%50(OP%51(=O)O[U]%52%53%54%55([O]%56[U]%57%58%59(=O)([O]%60P(=O)(O%58)O[U]%58%61%62([O]%63[W]%64%65([O]%66[U]%67%68(OP%69(=O)O[U]%70%71%72([O]%73[U]%74%13(=O)([O]%11P(O%74)(=O)[O-])(=O)([O]%70%73)O%14)([O]%69[U]%63([O]%64%67)(=O)([O]%71P(=O)(O%72)[O-])(=O)OP%11(=O)O[U]%13%14(=O)([O]%61%11)([O]%11[U]%61%63%64(=O)([O]%67P(=O)(O%64)O[U]%64%69%70([O]%71P(=O)(O[U]%72%73%71(=O)([O]%71[O]%72[U]%72%74%71(OP(=O)([O]%42%72)O[U]%44([O]%51%52)([O]%45%48)(=O)([O]%54P(=O)(O%55)[O-])=O)(=O)([O]%43P(=O)(O%74)[O-])=O)([O]%70P(=O)(O%73)[O-])=O)O[U]%42%43%44([O]%45P(=O)(O[U]%48%51%45(=O)([O]%45[O]%48[U]%48%52%45(OP(=O)([O]%23%48)O[U]%25([O]%32%33)([O]%26%29)(=O)([O]%35P(=O)(O%36)[O-])=O)(=O)([O]%24P(=O)(O%52)[O-])=O)([O]%44P(=O)([O]%51)[O-])=O)O[U]%23%24%25([O]%26P(=O)(O[U]%29%32%26([O]%26[U]%33%35(=O)(OP(=O)([O]%16%33)O%10)([O]%17P(=O)(O%35)[O-])(=O)[O]%29%26)(=O)([O]%25P(=O)([O-])O%32)=O)O[U]%10%67([O]%64[W]([O]%42%23)([O]%24%10)([O]%69%43)=O)([O]%61P(=O)(O%63)[O-])(=O)=O)(=O)=O)(=O)=O)(=O)=O)([O]%13%11)=O)([O]%62P(=O)(O%14)[O-])=O)(=O)=O)([O]%10[U]%11%13(=O)([O]%14[O]%11[U]%11%16%17%14([O]%14[U]%23%24([O]%25[U]%26%29([O]%32P(=O)(O[U]%332%32(=O)([O]13)([O]%26P(=O)(O%33)[O-])=O)O[U]123([O]%26P(=O)(O[U]%32%33%26([O]%26[U]%35%36(=O)([O]%30P(=O)(O[U]%22%28([O]%18P(O%21)(=O)[O-])([O]%19%27)(=O)=O)O%36)([O]%32%26)([O]%31P(=O)(O%35)[O-])=O)(=O)([O]3P(=O)(O%33)[O-])=O)O[U]3%18([O]%19P(=O)(O[U]%21%22%19([O]%19[U]%26%27(=O)([O]%49P(=O)(O[U]%41%47([O]%38P(O%40)(=O)[O-])([O]%39%46)(=O)=O)O%27)([O]%21%19)([O]%50P(=O)(O%26)[O-])=O)(=O)([O]%18P(=O)(O%22)[O-])=O)O%24)([O]1[W]%25(=O)([O]%233)[O]%292)(=O)=O)(=O)=O)(=O)(=O)OP%14(=O)O%11)(=O)(=O)[O]%16P(=O)(O%17)[O-])(=O)=O)([O]%68P(=O)(O%13)[O-])(=O)OP%10(=O)O[U]%60%66([O]%57P(O%59)(=O)[O-])([O]%58%65)(=O)=O)(=O)=O)=O)(=O)=O)([O]%53%56)=O)(=O)=O)(=O)=O)=O)(=O)=O)([O]%34%37)=O)(=O)=O)(=O)=O)=O)(=O)=O)([O]%209)=O)O8)(=O)=O)([O]%12%15)=O)(=O)=O)(=O)(OP7(=O)O6)=O)(=O)([O]4P(=O)(O5)[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.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.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: 29.632 ± 0.003 Å
• b: 29.632 ± 0.003 Å
• c: 34.132 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29970 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No