Information card for entry 4514648

Structure parameters

• Formula: C90 H121 Co2 Li N4 O4.5
• Calculated formula: C88 H117 Co2 Li N4 O4
• 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: 25.0102 ± 0.0002 Å
• b: 21.4146 ± 0.0002 Å
• c: 30.8908 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16544.6 ± 0.3 ų
• Cell temperature: 138.2 ± 0.6 K
• Ambient diffraction temperature: 138.2 ± 0.6 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No