Information card for entry 1558490

Structure parameters

• Formula: C95 H104 B2 Cl2 Co2 F10 O12 P6
• Calculated formula: C95 H104 B2 Cl2 Co2 F10 O12 P6
• Title of publication: Homogeneous cobalt-catalyzed deoxygenative hydrogenation of amides to amines
• Authors of publication: Papa, Veronica; Cabrero-Antonino, Jose R.; Spannenberg, Anke; Junge, Kathrin; Beller, Matthias
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 6116 - 6128
• a: 26.2086 ± 0.0008 Å
• b: 27.5599 ± 0.0008 Å
• c: 28.9629 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20920.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No