Information card for entry 7200846

Structure parameters

• Formula: C44 H68 N28 O35 U2
• Calculated formula: C44 H46 N28 O35 U2
• Title of publication: Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality
• Authors of publication: Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1150
• a: 17.8166 ± 0.0008 Å
• b: 20.4976 ± 0.0009 Å
• c: 19.134 ± 0.0007 Å
• α: 90°
• β: 90.607 ± 0.003°
• γ: 90°
• Cell volume: 6987.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No