Information card for entry 2012021

Structure parameters

• Formula: C33 H33 Cl3 Fe I N4 O4
• Calculated formula: C33 H33 Cl3 Fe I N4 O4
• Title of publication: (12,17-Diethoxycarbonyl-2,3,6,7,11,18-hexamethylcorrphycenato-κ^4^<i>N</i>)iodoiron(III) chloroform solvate
• Authors of publication: Ohgo, Yoshiki; Neya, Saburo; Funasaki, Noriaki; Nakamura, Mikio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 694 - 695
• a: 8.538 ± 0.002 Å
• b: 14.114 ± 0.002 Å
• c: 15.648 ± 0.004 Å
• α: 106.04 ± 0.014°
• β: 93.59 ± 0.02°
• γ: 104.964 ± 0.016°
• Cell volume: 1732.5 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No