Information card for entry 4348564

Structure parameters

• Common name: [FeTFPPBr8(1-MeIm)2]
• Formula: C53 H14 Br8 Cl2 F20 Fe N8
• Calculated formula: C53 H14 Br8 Cl2 F20 Fe N8
• 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: 10.7966 ± 0.0005 Å
• b: 26.7015 ± 0.0013 Å
• c: 20.2519 ± 0.0012 Å
• α: 90°
• β: 102.816 ± 0.002°
• γ: 90°
• Cell volume: 5692.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0782
• 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