Information card for entry 4510194

Structure parameters

• Formula: C39 H46 N3 O21.5 U3
• Calculated formula: C39 H45 N3 O21.5 U3
• Title of publication: Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent
• Authors of publication: Thuéry, Pierre; Harrowfield, Jack
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1314
• a: 13.6318 ± 0.0006 Å
• b: 20.8012 ± 0.0005 Å
• c: 17.6809 ± 0.0007 Å
• α: 90°
• β: 112.339 ± 0.002°
• γ: 90°
• Cell volume: 4637.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No