Information card for entry 2105759

Structure parameters

• Formula: C9 H28 O20 P3 U1.5
• Calculated formula: C9 H27 O20 P3 U1.5
• 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: 8.7982 ± 0.0003 Å
• b: 11.8876 ± 0.0004 Å
• c: 12.6446 ± 0.0004 Å
• α: 95.219 ± 0.002°
• β: 106.752 ± 0.002°
• γ: 96.98 ± 0.002°
• Cell volume: 1245.89 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes