Information card for entry 4513173

Structure parameters

• Formula: C18 H14 N2 O7 S U
• Calculated formula: C18 H14 N2 O7 S U
• Title of publication: Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers
• Authors of publication: Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3481
• a: 7.8324 ± 0.0003 Å
• b: 13.4801 ± 0.0005 Å
• c: 20.6453 ± 0.0008 Å
• α: 90°
• β: 94.145 ± 0.001°
• γ: 90°
• Cell volume: 2174.06 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No