Information card for entry 4335494

Structure parameters

• Formula: C28 H44 Fe
• Calculated formula: C28 Fe
• SMILES: C12([Fe](C34C5C4CC(C3)C5)(C34C5C4CC(C3)C5)C34CC5C(C3)C5C4)CC3C(C2)C3C1
• 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: 11.771 ± 0.0005 Å
• b: 10.0996 ± 0.0004 Å
• c: 9.7652 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1160.91 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.1339
• Weighted residual factors for significantly intense reflections: 0.356
• Weighted residual factors for all reflections included in the refinement: 0.3659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No