Information card for entry 4335131

Structure parameters

• Formula: C120 As24 O99 U10
• Calculated formula: C120 As24 O99 U10
• SMILES: [U]1234(=O)(O[As](=O)(O)O[U]567([O]=[As](O[U]89%10([O]=[As]%11(O[U]%12%13%14([O]=[As]%15(O[As]%16(=[O][U]%17%18%19(=O)([O]=[As]%20(O[U]%21([O]=[As](O%20)(O[U]%20%22([O]=[As](O%21)(O[As](O%20)(=[O]3)c3ccccc3)c3ccccc3)([O]=[As](O1)(O[As](=[O][U]1([O]=[As](O[As](O1)(=[O]4)c1ccccc1)(O8)c1ccccc1)(=O)([O]=[As](O9)(O%11)c1ccccc1)(=O)O[As](=O)(O[U]1([O]=[As](O1)(O%22)c1ccccc1)(O[As](=O)(O%18)c1ccccc1)(O[As](=O)(O)O%13)(=O)=O)O)(O2)c1ccccc1)c1ccccc1)(=O)=O)c1ccccc1)(O[As](O5)(=O)O)(=O)([O]=[As](O%19)(O[As](O%17)(=[O][U](=O)(O%15)(O%16)([O]=[As](O[As](=[O]%10)(O%12)c1ccccc1)(O%14)c1ccccc1)(=O)O[As](=O)(O6)c1ccccc1)c1ccccc1)c1ccccc1)=O)c1ccccc1)=O)c1ccccc1)c1ccccc1)(=O)=O)c1ccccc1)(=O)=O)(O7)c1ccccc1)(=O)=O)=O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Hybrid Uranyl Arsonate Coordination Nanocages
• Authors of publication: Pius O. Adelani; Ginger E. Sigmon; Peter C. Burns
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6245 - 6247
• a: 18.446 ± 0.003 Å
• b: 32.29 ± 0.005 Å
• c: 35.952 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21414 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No