Information card for entry 4089379

Structure parameters

• Common name: L(tBu)Co(n-hexyl)
• Formula: C41 H66 Co N2
• Calculated formula: C41 H66 Co N2
• SMILES: [Co]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)CCCCCC
• Title of publication: Low-Coordinate Cobalt Fluoride Complexes: Synthesis, Reactions, and Production from C‒F Activation Reactions
• Authors of publication: Dugan, Thomas R.; Goldberg, Jonathan M.; Brennessel, William W.; Holland, Patrick L.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1349
• a: 18.52 ± 0.0011 Å
• b: 16.6656 ± 0.001 Å
• c: 24.7602 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7642.2 ± 0.8 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No