Information card for entry 4306021

Structure parameters

• Common name: [Fe(OEP)(2-MeHIm)](1,10-phenathroline)
• Formula: C104 H116 Fe2 N16
• Calculated formula: C104 H116 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: 25.319 ± 0.002 Å
• b: 19.1907 ± 0.0014 Å
• c: 18.3944 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8937.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No