Information card for entry 4077090

Structure parameters

• Chemical name: 2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl isopropyl iron(ii)
• Formula: C38 H60 Fe N2
• Calculated formula: C38 H60 Fe N2
• SMILES: [Fe]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)C(C)C
• Title of publication: Three-Coordinate, 12-Electron Organometallic Complexes of Iron(II) Supported by a Bulky β-Diketiminate Ligand: Synthesis and Insertion of CO To Give Square-Pyramidal Complexes
• Authors of publication: Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 4808
• a: 9.6306 ± 0.0006 Å
• b: 17.3884 ± 0.0011 Å
• c: 21.7493 ± 0.0014 Å
• α: 90°
• β: 95.884 ± 0.001°
• γ: 90°
• Cell volume: 3623 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0949
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No