Information card for entry 4511637

Structure parameters

• Formula: C86 H90 N10 Ni2 O39 U4
• Calculated formula: C86 H80 N10 Ni2 O39 U4
• Title of publication: Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies
• Authors of publication: Thuéry, Pierre; Harrowfield, Jack
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 4214
• a: 15.258 ± 0.0004 Å
• b: 18.0513 ± 0.001 Å
• c: 16.9899 ± 0.0008 Å
• α: 90°
• β: 95.344 ± 0.003°
• γ: 90°
• Cell volume: 4659.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No