Information card for entry 7244771

Structure parameters

• Formula: C50 H28 Cd N6 O18 S2 U2
• Calculated formula: C50 H28 Cd N6 O18 S2 U2
• Title of publication: Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation
• Authors of publication: He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 16.3215 ± 0.0014 Å
• b: 17.453 ± 0.0015 Å
• c: 18.0785 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5149.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No