Information card for entry 7132933

Structure parameters

• Formula: C28 H26 N2 O2 P2
• Calculated formula: C28 H26 N2 O2 P2
• SMILES: [P@](=O)(c1ccccc1)(CC)c1nc2c(cc1)ccc1c2nc([P@](=O)(CC)c2ccccc2)cc1.[P@@](=O)(c1ccccc1)(CC)c1nc2c(cc1)ccc1c2nc([P@@](=O)(CC)c2ccccc2)cc1
• Title of publication: Epimerization effects on coordination behaviours of phenanthroline-based phosphine-oxide ligands with uranyl ions.
• Authors of publication: Yang, Xiaofan; Fang, Dong; Wang, Shihui; Tian, Zhenjiang; Xu, Lei; Liu, Jiyong; Zhang, Anyun; Xiao, Chengliang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 38
• Pages of publication: 5042 - 5045
• a: 8.231 ± 0.0003 Å
• b: 11.7984 ± 0.0005 Å
• c: 13.6524 ± 0.0005 Å
• α: 73.829 ± 0.001°
• β: 85.363 ± 0.001°
• γ: 76.865 ± 0.001°
• Cell volume: 1239.83 ± 0.08 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0351
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No