Information card for entry 1566680

Structure parameters

• Formula: C50.5 H47 Co O3 P2
• Calculated formula: C50.5 H47 Co O3 P2
• Title of publication: Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries
• Authors of publication: Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3219 - 3227
• a: 9.9652 ± 0.0003 Å
• b: 18.349 ± 0.0005 Å
• c: 23.3602 ± 0.0009 Å
• α: 90°
• β: 96.462 ± 0.003°
• γ: 90°
• Cell volume: 4244.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No