Information card for entry 4342514

Structure parameters

• Formula: C78 H34 F20 N8 O4
• Calculated formula: C78 H34 F20 N8 O4
• Title of publication: Photophysical Properties of β-Substituted Free-Base Corroles.
• Authors of publication: Lemon, Christopher M.; Halbach, Robert L.; Huynh, Michael; Nocera, Daniel G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2713 - 2725
• a: 16.198 ± 0.013 Å
• b: 17.515 ± 0.014 Å
• c: 17.649 ± 0.014 Å
• α: 96.489 ± 0.013°
• β: 114.139 ± 0.012°
• γ: 105.927 ± 0.012°
• Cell volume: 4247 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.1302
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No