Information card for entry 4316468

Structure parameters

• Formula: C48 H80 F24 O42 S8 U6
• Calculated formula: C48 H80 F24 O42 S8 U6
• SMILES: C(F)(F)(F)S1(=[O][U]23456(OS(=[O][U]789%10([O]3[U]3%11%12%13(O1)([O]4[U]14%14([O]6[U]6%15(OS(=[O]2)(=O)C(F)(F)F)([O]57)(OS(=[O][U](OS(=[O]8)(=O)C(F)(F)F)([O]=S(=O)(C(F)(F)F)O3)([O]96)([O]4%15)([O]%10%12)([O]%13%14)[O]2CCCC2)(=O)C(F)(F)F)(OS(=[O]1)(=O)C(F)(F)F)[O]1CCCC1)([O]1CCCC1)([O]=S(=O)(C(F)(F)F)O%11)[O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(=O)C(F)(F)F)[O]1CCCC1)=O.C1CCCO1.C1CCCO1
• Title of publication: Formation of Uranium(IV) Oxide Clusters from Uranocene [U(η8-C8H8)2] and Uranyl [UO2X2] Compounds
• Authors of publication: Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8173 - 8177
• a: 24.487 ± 0.002 Å
• b: 15.429 ± 0.0009 Å
• c: 25.622 ± 0.003 Å
• α: 90°
• β: 113.497 ± 0.003°
• γ: 90°
• Cell volume: 8877.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No