Information card for entry 4513703

Structure parameters

• Formula: C44 H28 N12 O8 U
• Calculated formula: C44 H28 N12 O8 U
• Title of publication: A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests
• Authors of publication: Thangavelu, Sonia G.; Cahill, Christopher L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2016
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 42
• a: 7.4226 ± 0.0007 Å
• b: 8.8963 ± 0.0009 Å
• c: 14.8043 ± 0.0015 Å
• α: 93.345 ± 0.001°
• β: 94.804 ± 0.001°
• γ: 91.285 ± 0.001°
• Cell volume: 972.12 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0168
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No