Information card for entry 7015739

Structure parameters

• Common name: [Fe(TiPrP)(HIm)2]ClO4
• Chemical name: [(5,10,15,20-tetraisopropylporphyrinato)iron(III) (imidazole)2]perchlorate
• Formula: C45 H57 Cl4 Fe N8 O4
• Calculated formula: C45 H57 Cl4 Fe N8 O4
• Title of publication: Formation and characterization of a six-coordinate iron(III) complex with the most ruffled porphyrin ring.
• Authors of publication: Ikezaki, Akira; Nakamura, Mikio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3455 - 3458
• a: 9.467 ± 0.0019 Å
• b: 40.94 ± 0.008 Å
• c: 12.708 ± 0.003 Å
• α: 90°
• β: 98.23 ± 0.03°
• γ: 90°
• Cell volume: 4874.6 ± 1.8 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• 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: 0.1143
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No