Information card for entry 7122363

Structure parameters

• Chemical name: UO2 2 tBu
• Formula: C118 H100 D48 N6 O20 S8 U2
• Calculated formula: C118 H100 D48 N6 O20 S8 U2
• Title of publication: Expanded Campestarene Hosts for Tetra- and Dinuclear Uranyl(VI) Complexes
• Authors of publication: Chaudhry, Mohammad; Lelj, Francesco; MacLachlan, Mark
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 14.1675 ± 0.0013 Å
• b: 15.6425 ± 0.0013 Å
• c: 15.7252 ± 0.0014 Å
• α: 74.352 ± 0.003°
• β: 89.153 ± 0.003°
• γ: 79.49 ± 0.003°
• Cell volume: 3297.3 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No