Information card for entry 4344041

Structure parameters

• Formula: C60 H42 N6 Ni O17 U2
• Calculated formula: C60 H40 N6 Ni O17 U2
• Title of publication: Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.
• Authors of publication: Thuéry, Pierre; Harrowfield, Jack
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 8093 - 8102
• a: 13.2606 ± 0.0011 Å
• b: 29.6449 ± 0.0019 Å
• c: 8.4799 ± 0.0006 Å
• α: 90°
• β: 121.965 ± 0.005°
• γ: 90°
• Cell volume: 2828.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No