Information card for entry 4335493

Structure parameters

• Formula: C23 H43 Fe N2 O2
• Calculated formula: C23 H43 Fe N2 O2
• SMILES: [Fe]1(OC(=CC(=[O]1)C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C
• Title of publication: Reactivity and Mössbauer Spectroscopic Characterization of an Fe(IV) Ketimide Complex and Reinvestigation of an Fe(IV) Norbornyl Complex
• Authors of publication: Richard A. Lewis; Danil E. Smiles; Jonathan M. Darmon; S. Chantal E. Stieber; Guang Wu; Trevor W. Hayton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8218 - 8227
• a: 8.4491 ± 0.0005 Å
• b: 11.0002 ± 0.0006 Å
• c: 15.0329 ± 0.0009 Å
• α: 68.873 ± 0.004°
• β: 84.357 ± 0.004°
• γ: 73.185 ± 0.004°
• Cell volume: 1247.52 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No