Information card for entry 4106578

Structure parameters

• Common name: L(tBu)CoPh
• Formula: C41 H58 Co N2
• Calculated formula: C41 H58 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)c1ccccc1
• Title of publication: A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds
• Authors of publication: Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12418 - 12421
• a: 17.236 ± 0.003 Å
• b: 12.3908 ± 0.0019 Å
• c: 17.302 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3695.2 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No