Information card for entry 4519284

Structure parameters

• Formula: C78 H130 Cl2 Co2 N8 O8
• Calculated formula: C78 H130 Cl2 Co2 N8 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: 9.1336 ± 0.0004 Å
• b: 12.9774 ± 0.0005 Å
• c: 18.9147 ± 0.0007 Å
• α: 99.113 ± 0.002°
• β: 96.967 ± 0.002°
• γ: 107.686 ± 0.002°
• Cell volume: 2074.56 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No