Information card for entry 4115350

Structure parameters

• Common name: LNiCl
• Chemical name: 2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl nickel(I) tetrahydrofuran
• Formula: C39 H61 N2 Ni O
• Calculated formula: C39 H61 N2 Ni O
• SMILES: [Ni]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)[O]1CCCC1
• Title of publication: Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel
• Authors of publication: Patrick L. Holland; Thomas R. Cundari; Lanyn L. Perez; Nathan A. Eckert; Rene J. Lachicotte
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14416 - 14424
• a: 9.562 ± 0.0007 Å
• b: 17.7515 ± 0.0014 Å
• c: 21.7048 ± 0.0017 Å
• α: 90°
• β: 95.543 ± 0.002°
• γ: 90°
• Cell volume: 3666.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No