Information card for entry 7135803

Structure parameters

• Formula: C55 H24 F20 N4 O3 Pd
• Calculated formula: C54 H24 F20 N5 O3 Pd
• 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: 13.0937 ± 0.0006 Å
• b: 13.6141 ± 0.0006 Å
• c: 15.2325 ± 0.0007 Å
• α: 105.165 ± 0.002°
• β: 106.252 ± 0.002°
• γ: 93.443 ± 0.003°
• Cell volume: 2489.9 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0772
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No