Information card for entry 4128392

Structure parameters

• Formula: C99.18 H63.18 Cl3.54 F12 N4
• Calculated formula: C99.181 H63.181 Cl3.543 F12 N4
• Title of publication: Dioxygen/Hydrogen Peroxide Interconversion Using Redox Couples of Saddle-Distorted Porphyrins and Isophlorins.
• Authors of publication: Suzuki, Wataru; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 14
• Pages of publication: 5987 - 5994
• a: 16.181 ± 0.002 Å
• b: 16.229 ± 0.002 Å
• c: 18.735 ± 0.003 Å
• α: 64.77 ± 0.002°
• β: 76.472 ± 0.002°
• γ: 76.628 ± 0.002°
• Cell volume: 4278.3 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1456
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No