Information card for entry 7719001

Structure parameters

• Formula: C54 H52 Cl3 Er O5 P4
• Calculated formula: C54 H52 Cl3 Er O5 P4
• Title of publication: Six-coordinate lanthanide complexes based on bidentate phosphine oxide ligands: synthesis, structure and magnetic properties
• Authors of publication: Wu, Xiao-Jun; Guo, Hong-Yao; Lin, Wei-Quan; Meng, Yan; Leng, Ji-Dong
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 7819 - 7827
• a: 21.00542 ± 0.00013 Å
• b: 21.75103 ± 0.00016 Å
• c: 22.46591 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10264.4 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No