Information card for entry 4340430

Structure parameters

• Common name: [Fe(TMP)(2-MeHIm)2][Fe(TMP)(2-MeHIm)]
• Formula: C259.8 H259.85 Cl1.4 Fe4 N29.88 O0.76
• Calculated formula: C259.803 H232 Cl1.4 Fe4 N29.88 O0.7605
• Title of publication: Ligand orientation control in low-spin six-coordinate (porphinato)iron(II) species.
• Authors of publication: Hu, Chuanjiang; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4346 - 4358
• a: 39.8634 ± 0.0003 Å
• b: 39.8634 ± 0.0003 Å
• c: 28.1013 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 44655.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No