Information card for entry 7248072

Structure parameters

• Formula: C70 H52 N8 Ni O21 U2
• Calculated formula: C70 H52 N8 Ni O21 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: 8.6348 ± 0.0003 Å
• b: 14.3691 ± 0.0005 Å
• c: 27.8539 ± 0.0011 Å
• α: 93.9567 ± 0.0017°
• β: 98.1776 ± 0.0017°
• γ: 94.847 ± 0.0016°
• Cell volume: 3397.1 ± 0.2 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: 0.0387
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No