Information card for entry 4316470

Structure parameters

• Formula: C59 H53 F18 N9 O26 S6 U6
• Calculated formula: C60 H48 F18 N8 O26 S6 U6
• SMILES: C(F)(F)(F)S1(=[O][U]2345[O]6[U]789%10%11%12%13%14([CH]%15[CH]%10[CH]%11=[CH]%12[CH]7=[CH]%13[CH]%14=[CH]%15)[O]7[U]%10%11%12([O]3[U]3%13%14([O]2[U]2%156([O]=S(C(F)(F)F)(O[U]7([O]=S(C(F)(F)F)(O%11)=O)([O]82)([O]%12%13)[O]%14%15)=O)([O]=S(C(F)(F)F)(O3)=O)O1)[O]=S(C(F)(F)F)(O%10)=O)([O]=S(C(F)(F)F)(O4)=O)[O]59)=O.c1ccccn1.n1ccccc1.n1ccccc1.n1ccccc1.c1ccccc1.c1ccccn1.n1ccccc1.n1ccccc1.n1ccccc1
• 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: 14.9595 ± 0.0006 Å
• b: 23.7905 ± 0.0016 Å
• c: 24.404 ± 0.0013 Å
• α: 90°
• β: 103.598 ± 0.004°
• γ: 90°
• Cell volume: 8441.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No