Information card for entry 4103308

Structure parameters

• Formula: C42 H55 Co N2 O2
• Calculated formula: C42 H55 Co N2 O2
• SMILES: c12c(cc(cc1N(c1ccccc1)[Co]1(CC)(N(c3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O1)c1ccccc1)O2)C(C)(C)C)C(C)(C)C
• Title of publication: Redox-Active Ligand-Mediated Oxidative Addition and Reductive Elimination at Square Planar Cobalt(III): Multielectron Reactions for Cross-Coupling
• Authors of publication: Aubrey L. Smith; Kenneth I. Hardcastle; Jake D. Soper
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14358 - 14360
• a: 13.036 ± 0.014 Å
• b: 13.449 ± 0.014 Å
• c: 13.553 ± 0.014 Å
• α: 67.671 ± 0.015°
• β: 85.679 ± 0.016°
• γ: 64.31 ± 0.015°
• Cell volume: 1969 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.104
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1266
• 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