Information card for entry 4514647

Structure parameters

• Formula: C48 H60 Co Li N2 O
• Calculated formula: C48 H60 Co Li N2 O
• 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: 17.4715 ± 0.0002 Å
• b: 10.5472 ± 0.0001 Å
• c: 10.9763 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2022.66 ± 0.04 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Duplicate of: 4514644
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No