Information card for entry 4106575

Structure parameters

• Common name: L(tBu)Co
• Formula: C35 H53 Co N2
• Calculated formula: C35 H53 Co N2
• SMILES: [Co]123456N(C(=CC(=N[c]71[c]2([cH]3[cH]4[cH]5[c]67C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 12.0637 ± 0.0014 Å
• b: 14.4861 ± 0.0016 Å
• c: 18.32 ± 0.002 Å
• α: 90°
• β: 104.359 ± 0.002°
• γ: 90°
• Cell volume: 3101.5 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0644
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No