Information card for entry 4305058

Structure parameters

• Formula: C H2 O14 P2 U2
• Calculated formula: C H2 O14 P2 U2
• Title of publication: Further Examples of the Failure of Surrogates to Properly Model the Structural and Hydrothermal Chemistry of Transuranium Elements: Insights Provided by Uranium and Neptunium Diphosphonates
• Authors of publication: Anna-Gay D. Nelson; Travis H. Bray; Wei Zhan; Richard G. Haire; Todd S. Sayler; Thomas E. Albrecht-Schmitt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4945 - 4951
• a: 8.4574 ± 0.0005 Å
• b: 14.4419 ± 0.0008 Å
• c: 10.6003 ± 0.0006 Å
• α: 90°
• β: 100.004 ± 0.001°
• γ: 90°
• Cell volume: 1275.04 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No