Information card for entry 4103042

Structure parameters

• Formula: C78.5 H97 Cl6.5 N4 Zn2
• Calculated formula: C78.5 H97 Cl6.5 N4 Zn2
• 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: 14.2691 ± 0.001 Å
• b: 14.3504 ± 0.001 Å
• c: 20.8703 ± 0.0014 Å
• α: 99.7682 ± 0.0019°
• β: 97.5856 ± 0.0019°
• γ: 108.675 ± 0.0018°
• Cell volume: 3909.6 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2012
• Weighted residual factors for all reflections included in the refinement: 0.2569
• 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