Information card for entry 4106574

Structure parameters

• Common name: L(tBu)Co(THF)
• Formula: C39 H61 Co N2 O
• Calculated formula: C39 H61 Co N2 O
• 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)[O]1CCCC1
• 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: 9.4077 ± 0.0008 Å
• b: 17.7033 ± 0.0014 Å
• c: 21.4739 ± 0.0017 Å
• α: 90°
• β: 94.762 ± 0.002°
• γ: 90°
• Cell volume: 3564.1 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1263
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No