Information card for entry 4345415

Structure parameters

• Formula: C18 H18 N2 O6 U
• Calculated formula: C18 H18 N2 O6 U
• Title of publication: Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.
• Authors of publication: Thuéry, Pierre; Harrowfield, Jack
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1455 - 1469
• a: 16.7704 ± 0.0007 Å
• b: 16.7704 ± 0.0007 Å
• c: 18.8976 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4602.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No