Information card for entry 4332879

Structure parameters

• Common name: Fe(OEP)(2-MeHIm)2
• Formula: C47 H59 Cl10 Fe N8
• Calculated formula: C47 H59 Cl10 Fe N8
• Title of publication: Low-Spin Bis(2-methylimidazole)(octaethylporphyrinato)iron(III) Chloride (perp-[Fe(OEP)(2-MeHIm)2]Cl): A Consequence of Hydrogen Bonding?
• Authors of publication: Hu, Chuanjiang; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9721 - 9728
• a: 14.066 ± 0.003 Å
• b: 20.883 ± 0.004 Å
• c: 19.245 ± 0.004 Å
• α: 90°
• β: 109.67 ± 0.03°
• γ: 90°
• Cell volume: 5323 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No