Information card for entry 4513171

Structure parameters

• Formula: C60 H36 N6 O31 S5 U4
• Calculated formula: C60 H36 N6 O31 S5 U4
• 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: 8.485 ± 0.0012 Å
• b: 20.759 ± 0.003 Å
• c: 21.698 ± 0.003 Å
• α: 97.97 ± 0.003°
• β: 100.426 ± 0.002°
• γ: 101.314 ± 0.002°
• Cell volume: 3625.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No