Information card for entry 4106577

Structure parameters

• Common name: L(tBu)Co(CO)2
• Chemical name: holtd31
• Formula: C37 H53 Co N2 O2
• Calculated formula: C37 H53 Co N2 O2
• 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)(C#[O])C#[O]
• 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: 9.4586 ± 0.0005 Å
• b: 12.3354 ± 0.0007 Å
• c: 15.987 ± 0.0009 Å
• α: 97.994 ± 0.001°
• β: 97.008 ± 0.001°
• γ: 111.209 ± 0.001°
• Cell volume: 1691.79 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1061
• 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