Information card for entry 7248075

Structure parameters

• Formula: C102 H76 O16 P2 U2
• Calculated formula: C102 H76 O16 P2 U2
• Title of publication: Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands
• Authors of publication: Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 1278 - 1291
• a: 23.3097 ± 0.0006 Å
• b: 13.3655 ± 0.0003 Å
• c: 13.5379 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4217.68 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No