Information card for entry 4350205

Structure parameters

• Common name: [Fe(OEP)(2-MeHIm)]
• Formula: C47 H58 Fe N6
• Calculated formula: C47 H58 Fe N6
• Title of publication: Electronic configuration of high-spin imidazole-ligated iron(II) octaethylporphyrinates.
• Authors of publication: Hu, Chuanjiang; An, Jin; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4177 - 4185
• a: 12.6335 ± 0.0006 Å
• b: 12.9323 ± 0.0006 Å
• c: 13.547 ± 0.0007 Å
• α: 82.285 ± 0.002°
• β: 75.039 ± 0.002°
• γ: 71.063 ± 0.002°
• Cell volume: 2019.47 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No