Information card for entry 4103055

Structure parameters

• Chemical name: di(Lithium tetrahydrofuran) Iron(II) tetrakis(bistert-butyl ketimide)
• Formula: C44 H88 Fe Li2 N4 O2
• Calculated formula: C44 H88 Fe Li2 N4 O2
• SMILES: [Fe]12([N](=C(C(C)(C)C)C(C)(C)C)[Li]([N]2=C(C(C)(C)C)C(C)(C)C)[O]2CCCC2)[N](=C(C(C)(C)C)C(C)(C)C)[Li]([N]1=C(C(C)(C)C)C(C)(C)C)[O]1CCCC1
• Title of publication: Synthesis and Characterization of an Iron(IV) Ketimide Complex
• Authors of publication: Richard A. Lewis; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12814 - 12816
• a: 12.5554 ± 0.0016 Å
• b: 19.869 ± 0.003 Å
• c: 19.126 ± 0.002 Å
• α: 90°
• β: 96.678 ± 0.002°
• γ: 90°
• Cell volume: 4738.9 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No