Information card for entry 4323591

Structure parameters

• Common name: [2-O-FeTTP]~3~^.^3n-octane
• Formula: C168 H159 Fe3 N12 O3
• Calculated formula: C168 H105 Fe3 N12 O3
• Title of publication: Cyclic Metalloporphyrin Trimers: 1H NMR Identification of Trimeric Heterometallic (Iron(III), Gallium(III), Manganese(III)) 2-Hydroxy-5,10,15,20-tetraphenylporphyrins and X-ray Crystal Structure of the Iron(III) 2-Hydroxy-5,10,15,20-tetra-p-tolylporphyrin Trimer 1
• Authors of publication: Jacek Wojaczyński; Lechosław Latos-Grażyński; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4548 - 4554
• a: 16.729 ± 0.006 Å
• b: 43.671 ± 0.013 Å
• c: 19.564 ± 0.007 Å
• α: 90°
• β: 105.83 ± 0.03°
• γ: 90°
• Cell volume: 13751 ± 8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2052
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections: 0.2563
• Weighted residual factors for significantly intense reflections: 0.1848
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.228
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No