Information card for entry 4500686

Structure parameters

• Formula: C12 H9 O11 U1.5
• Calculated formula: C12 H9 O11 U1.5
• Title of publication: Revisiting the Uranyl-phthalate System: Isolation and Crystal Structures of Two Types of Uranyl−Organic Frameworks (UOF)
• Authors of publication: Mihalcea, Ionut; Henry, Natacha; Loiseau, Thierry
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1940
• a: 30.5385 ± 0.0007 Å
• b: 30.5385 ± 0.0007 Å
• c: 5.8489 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4723.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No