Information card for entry 4510000

Structure parameters

• Formula: C28 H16 Cl2 N4 O10 P2 U2
• Calculated formula: C28 H16 Cl2 N4 O10 P2 U2
• Title of publication: Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates
• Authors of publication: Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 228
• a: 10.6043 ± 0.0007 Å
• b: 16.4306 ± 0.0011 Å
• c: 21.8094 ± 0.0014 Å
• α: 90°
• β: 90.493 ± 0.001°
• γ: 90°
• Cell volume: 3799.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No