Information card for entry 4509785

Structure parameters

• Formula: C120 H200 O76 U8
• Calculated formula: C120 H168 O76 U8
• SMILES: [C@@]12(C([C@H](CC1)C1=[O][U]345(=O)(=O)(O1)[O]=C([C@]1(C([C@H](CC1)C1=[O][U]678(=O)(=O)([O]=C([C@@H]9C([C@@](CC9)(C9=[O][U]%10%11%12(=O)(=O)(O9)OC(=[O]%10)[C@]9(C([C@H](CC9)C9=[O][U]%10%13(=O)(=O)(OC2=[O]%10)(OC(=[O]%13)[C@]2(C([C@H](CC2)C2=[O][U]%10%13%14(=O)(=O)(OC(=[O]%10)[C@]%10(C([C@H](CC%10)C%10=[O][U]%15%16(=O)(=O)(O%10)([O]=C([C@]%10(C([C@H](CC%10)C(=[O]4)O5)(C)C)C)O%15)[O]=C([C@@H]4C([C@@](CC4)(C4=[O][U]5%10(=O)(=O)([O]=C([C@@H]%15C([C@@](CC%15)(C%15=[O][U]%17%18(=O)(=O)(O%15)(OC(=[O]%17)[C@]%15(C([C@H](CC%15)C(=[O]%11)O%12)(C)C)C)[O]=C([C@@H]%11C([C@@](CC%11)(C(=[O]%14)O%13)C)(C)C)O%18)C)(C)C)O5)(O4)[O]=C([C@@H]4C([C@@](CC4)(C(=[O]7)O8)C)(C)C)O%10)C)(C)C)O%16)(C)C)C)O2)(C)C)C)O9)(C)C)C)C)(C)C)O6)O1)(C)C)C)O3)(C)C)C.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A Nanosized Uranyl Camphorate Cage and its Use as a Building Unit in a Metal−Organic Framework
• Authors of publication: Thuéry, Pierre
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4592
• a: 17.9223 ± 0.0006 Å
• b: 17.9223 ± 0.0006 Å
• c: 33.2705 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10686.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No