Information card for entry 7135802

Structure parameters

• Formula: C103 H77 Cl3 N8 O6 Pd2
• Calculated formula: C103 H77 Cl3 N8 O6 Pd2
• Title of publication: Oxidative coupling of 3-ethoxy Pd II N-confused porphyrins with βdiketones using PIFA as the oxidant
• Authors of publication: Huang, Jieqing; Yang, Wenrui; Wen, Sijie; Zheng, Zenan; Chen, Xiaolin; Gan, Xiaofan; Xu, Ling; Jiang, Hua-Wei
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 10.478 ± 0.002 Å
• b: 14.544 ± 0.003 Å
• c: 14.623 ± 0.003 Å
• α: 80.817 ± 0.015°
• β: 73.45 ± 0.017°
• γ: 83.659 ± 0.017°
• Cell volume: 2103.8 ± 0.8 ų
• Cell temperature: 240 K
• Ambient diffraction temperature: 240.15 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: 0.1612
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.3161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No