Information card for entry 7248070

Structure parameters

• Formula: C21 H16.5 N1.5 O6 U
• Calculated formula: C21 H16.5 N1.5 O6 U
• 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: 8.7652 ± 0.0004 Å
• b: 10.7608 ± 0.0005 Å
• c: 11.206 ± 0.0005 Å
• α: 103.334 ± 0.0018°
• β: 92.5999 ± 0.0018°
• γ: 107.653 ± 0.0017°
• Cell volume: 972.43 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No