Information card for entry 7110974

Structure parameters

• Formula: C56 H25.6 F20 N4 O1.3 Pd
• Calculated formula: C56 H24 F20 N4 O1.3 Pd
• Title of publication: Inner C-arylation of a doubly N-confused porphyrin‒Pd complex in toluene—the possibility of a Pd3+ intermediate
• Authors of publication: Furuta, Hiroyuki; Maeda, Hiromitsu; Osuka, Atsuhiro; Yasutake, Mikio; Shinmyozu, Teruo; Ishikawa, Yuichi
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 1143
• a: 15.78 ± 0.001 Å
• b: 22.179 ± 0.002 Å
• c: 15.618 ± 0.001 Å
• α: 90°
• β: 118.743 ± 0.002°
• γ: 90°
• Cell volume: 4792.6 ± 0.6 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.2475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK??
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No