Information card for entry 4510156

Structure parameters

• Formula: C6 H14 N3 O20 U3
• Calculated formula: C6 H14 N3 O20 U3
• Title of publication: Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials
• Authors of publication: de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1357
• a: 10.761 ± 0.004 Å
• b: 12.478 ± 0.004 Å
• c: 15.846 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2127.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No