Information card for entry 4325386

Structure parameters

• Common name: U30Py6
• Formula: K24 O217 P12 U30
• Calculated formula: K24 O217 P12 U30
• SMILES: [K+].[K+].O=[U]12345(=O)[O]6[O]5[U]5786(=O)(=O)[O]6[U]9%10%11(=O)([O]%12[U]%13%14%15([O]%16[O]%15[U]%15%17%18%16([O]%16[U]%19%20(=O)([O]1[O]2%19)(=O)(OP1(O[U]2%19%21(=O)(=O)([O]%22[U]%23%24%25(=O)([O]%26[U]%27%28%29([O]%30[O]%27[U]%27%31%32%30(=O)([O]%30[U]%33%34(=O)([O]%19[O]%21%34)(=O)([O]%19[U]%21%34([O]%35[U]%36%37%38([O]%39[U]%40%41%42([O]%43[U]%44%45(OP(=O)(OP(=O)(O%44)O%13)O%14)([O]%40%43)(=O)([O]%13[U]%14%40%43(=O)([O]%44[U]%46%47%48(=O)([O]%49[O]%46[U]%46%50%51%49([O]%49[U]%52%53(=O)([O]%54[U]%55%56(=O)(OP(=O)(O%10)OP(=O)(O%56)O%11)(=O)([O]%14[O]%43%55)[O]%53%54)(=O)([O]%10[U]%11%14([O]%43[U]%53%54%55([O]%56[U]%57%58([O]%59[U]%60%61(OP(O4)(OP(=O)(O%60)O3)=O)([O]%57%59)(=O)([O]%23[O]%25%61)=O)([O]%53%56)([O]3[U]4%23([O]%25[U]%53%56(=O)(=O)([O]%57[U]%59%60([O]%56%57)([O]%54[O]%55%59)(=O)([O]%50[O]%51%60)=O)([O]%50[U]%51%54(=O)([O]%55[U]%56%57([O]%41[O]%42%56)(=O)([O]%47[O]%48%57)(=O)[O]%54%55)(=O)([O]%41[U]%42%47([O]%51%41)([O]%37[O]%38%42)(=O)([O]%31[O]%32%47)=O)[O]%53%50)[O]%23%25)(=O)([O]%583)([O]%28[O]%294)=O)(=O)=O)([O]%11%43)(=O)=O)(OP(=O)(OP(=O)(O%14)O7)O8)(=O)([O]%52%10)=O)[O]%46%49)(=O)=O)([O]%40%44)=O)(=O)[O]%45%13)=O)([O]%36%39)(=O)=O)([O]%21%35)(=O)=O)(OP(O%18)(OP(=O)(O%34)O%17)=O)(=O)([O]%33%19)=O)[O]%27%30)=O)([O]%24%26)(=O)=O)(=O)[O]2%22)OP(O%20)(O1)=O)=O)[O]%15%16)(=O)=O)([O]9%12)(=O)=O)(=O)[O]56.[K+].[K+].[K+].[K+].[K+].[K+].[K+].O.[K+].O.O.O.[K+].O.[K+].[K+].O.O.O.O.O.O.O.O.O.[K+].[K+].[K+].O.[K+].[K+].[K+].O.[K+].[K+].O.[K+].[K+].O.O.O.O.O.[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra
• Authors of publication: Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5509 - 5516
• a: 19.522 ± 0.002 Å
• b: 34.155 ± 0.005 Å
• c: 38.237 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25495 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No