Information card for entry 4103040

Structure parameters

• Formula: C79 H98 Cl6 N4 Pd
• Calculated formula: C79 H98 Cl6 N4 Pd
• Title of publication: Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin
• Authors of publication: Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12627 - 12638
• a: 17.56 ± 0.02 Å
• b: 27.034 ± 0.014 Å
• c: 18.17 ± 0.03 Å
• α: 90°
• β: 117.05 ± 0.17°
• γ: 90°
• Cell volume: 7682 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No