Information card for entry 4348561

Structure parameters

• Common name: [FeTFPPBr8(2-MeHIm)]
• Formula: C53 H16 Br8 Cl2 F20 Fe N6 O
• Calculated formula: C52.999 H16 Br8 Cl2.001 F20 Fe N6 O
• Title of publication: Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.
• Authors of publication: Hu, Bin; He, Mingrui; Yao, Zhen; Schulz, Charles E.; Li, Jianfeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9632 - 9643
• a: 12.3325 ± 0.0007 Å
• b: 17.5209 ± 0.001 Å
• c: 13.345 ± 0.0007 Å
• α: 90°
• β: 92.571 ± 0.001°
• γ: 90°
• Cell volume: 2880.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No