Information card for entry 2105758

Structure parameters

• Formula: C8 H10 O8 P2 U
• Calculated formula: C8 H10 O8 P2 U
• Title of publication: Metal-organic frameworks based on uranyl and phosphonate ligands
• Authors of publication: Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 28 - 36
• a: 10.9522 ± 0.0013 Å
• b: 6.4691 ± 0.0007 Å
• c: 9.2802 ± 0.001 Å
• α: 90°
• β: 96.333 ± 0.009°
• γ: 90°
• Cell volume: 653.5 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No