Information card for entry 4501200

Structure parameters

• Formula: C22 H12 O27 P6 U3
• Calculated formula: C22 H12 O27 P6 U3
• Title of publication: Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents
• Authors of publication: Adelani, Pius O.; Albrecht-Schmitt, Thomas E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4227
• a: 10.089 ± 0.003 Å
• b: 11.712 ± 0.004 Å
• c: 11.803 ± 0.004 Å
• α: 111.964 ± 0.004°
• β: 107.146 ± 0.004°
• γ: 105.977 ± 0.004°
• Cell volume: 1112.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No