Information card for entry 4331724

Structure parameters

• Common name: NaKU22PO3
• Formula: K10.06 Na4.01 O190 P20 U22
• Calculated formula: K10.048 Na4.02 O190 P20 U22
• SMILES: [U]1234([O]=P5O[U]678([O]=P9O[U]%10%11([O]=P%12O[U]%13%14(OP(O[U]%15%16([OH2])([O]6[O]8%15)([O]6[U]8%15([OH2])([O]%17[U]%18%19([O]=P%20O[U]%21%22%23([O]%24[U]%25([OH2])([O]%26[U]%27([OH2])([O]%13[O]%14%27)(=O)(OP(=O)O[U]%13%14([O]%27[U]%28%29([OH2])(OP(O[U]%30(O=P(O2)O%10)([O]2[U]%10([OH2])(OP(O1)=O)([O]%302)(=O)(=O)[O]1[U]2%30([OH2])([O]%31[U]%32%33(O=P%34O[U]%35(=O)([O]%36[U]%37([OH2])([O]%38[U]%39([O]3[O]4%39)(=O)(=O)([O]%37%38)([OH2])OP(=O)O7)([O]%35%36)(=O)(OP(=O)O%33)=O)(=O)([O]=P(O[U]3(=O)(O%34)(O%20)([O]=P(O%32)O[U]4([O]7[U]%20([O]%28[O]%29%20)([O]47)(OP(O%21)=O)([OH2])(=O)=O)(=O)(=O)(OP(O%30)=O)[O]=P(O%23)O3)=O)O%19)OP(=O)O%15)(=O)([O]2%31)=O)(=O)(=O)[O]%101)([O]=P(O%13)O%11)(=O)=O)=O)(=O)([O]%14%27)=O)(O%12)(=O)=O)([O]%25%26)=O)([O]%22%24)(OP(O%18)=O)(=O)=O)(=O)=O)([O]8%17)(=O)=O)(=O)([O]%166)=O)(=O)=O)=O)(=O)(O9)=O)(O5)(=O)=O)(=O)=O)(=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].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: Time-Resolved Assembly of Chiral Uranyl Peroxo Cage Clusters Containing Belts of Polyhedra
• Authors of publication: Jie Qiu; Kevin Nguyen; Laurent Jouffret; Jennifer E. S. Szymanowski; Peter C. Burns
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 337 - 345
• a: 21.601 ± 0.004 Å
• b: 30.034 ± 0.006 Å
• c: 35.349 ± 0.006 Å
• α: 90°
• β: 96.311 ± 0.002°
• γ: 90°
• Cell volume: 22794 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No