Information card for entry 2214374

Structure parameters

• Common name: H~4~OETPP2Cl
• Chemical name: 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin dichloride toluene 1.33-solvate
• Formula: C69.33 H74.67 Cl2 N4
• Calculated formula: C69.24 H74.56 Cl2 N4
• Title of publication: The highly saddled octaethyltetraphenylporphyrin-[H~4~OETPP] dichloride toluene 1.33-solvate
• Authors of publication: Hu, Chuanjiang; Noll, Bruce C.; Scheidt, W. Robert.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3128 - o3128
• a: 25.8135 ± 0.0002 Å
• b: 25.8135 ± 0.0002 Å
• c: 25.8135 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17200.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes