Information card for entry 4513176

Structure parameters

• Formula: C21 H12 N3 O8 S1.5 U
• Calculated formula: C21 H12 N3 O8 S1.5 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: 29.8727 ± 0.0016 Å
• b: 7.6518 ± 0.0004 Å
• c: 22.1924 ± 0.0012 Å
• α: 90°
• β: 122.867 ± 0.001°
• γ: 90°
• Cell volume: 4260.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No