Information card for entry 4519286

Structure parameters

• Formula: C58 H56 Cl8 Co2 N4 O8
• Calculated formula: C58 H56 Cl8 Co2 N4 O8
• Title of publication: Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands
• Authors of publication: Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Pages of publication: 1905 - 1918
• a: 9.9281 ± 0.0002 Å
• b: 19.0648 ± 0.0004 Å
• c: 16.0575 ± 0.0003 Å
• α: 90°
• β: 103.738 ± 0.001°
• γ: 90°
• Cell volume: 2952.37 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No