Information card for entry 4306020

Structure parameters

• Common name: [Fe(TPP)(2-MeHIm)]Phenanthroline
• Formula: C132 H94 Cl2 Fe2 N16
• Calculated formula: C132 H94 Cl2 Fe2 N16
• Title of publication: Hydrogen Bonding Influence of 1,10-Phenanthroline on Five-Coordinate High-Spin Imidazole-Ligated Iron(II) Porphyrinates
• Authors of publication: Chuanjiang Hu; Bruce C. Noll; Charles E. Schulz; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8884 - 8895
• a: 24.6264 ± 0.0009 Å
• b: 18.7689 ± 0.0007 Å
• c: 23.2011 ± 0.0008 Å
• α: 90°
• β: 106.726 ± 0.002°
• γ: 90°
• Cell volume: 10270.1 ± 0.7 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: 0.0806
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No