Information card for entry 4514645

Structure parameters

• Formula: C45 H53 Co N2
• Calculated formula: C45 H53 Co N2
• Title of publication: Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates
• Authors of publication: Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 7596
• a: 12.3103 ± 0.0003 Å
• b: 12.6855 ± 0.0003 Å
• c: 13.5302 ± 0.0004 Å
• α: 69.519 ± 0.002°
• β: 77.844 ± 0.002°
• γ: 79.251 ± 0.002°
• Cell volume: 1920.22 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No