Information card for entry 2232642

Structure parameters

• Common name: Corrphycene
• Chemical name: Chlorido(12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycenato- κ^4^<i>N</i>)iron(III)
• Formula: C36 H36 Cl Fe N4 O4
• Calculated formula: C36 H36 Cl Fe N4 O4
• Title of publication: Chlorido(12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycenato-κ^4^<i>N</i>)iron(III)
• Authors of publication: Ohgo, Yoshiki; Yokoyama, Yuki; Neya, Saburo; Nakamura, Mikio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1903 - m1904
• a: 14.455 ± 0.002 Å
• b: 15.876 ± 0.002 Å
• c: 16.013 ± 0.002 Å
• α: 87.156 ± 0.003°
• β: 65.645 ± 0.003°
• γ: 71.291 ± 0.003°
• Cell volume: 3156.3 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1852
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2426
• Weighted residual factors for all reflections included in the refinement: 0.3046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes