Information card for entry 7244769

Structure parameters

• Formula: C30 H18 Cu N4 O11 S2 U
• Calculated formula: C30 H18 Cu N4 O11 S2 U
• 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: 9.7605 ± 0.0006 Å
• b: 24.3058 ± 0.0016 Å
• c: 13.4017 ± 0.0009 Å
• α: 90°
• β: 106.527 ± 0.001°
• γ: 90°
• Cell volume: 3048 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.303
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No