Information card for entry 7122652

Structure parameters

• Formula: C31 H46 Co N2
• Calculated formula: C31 H46 Co N2
• Title of publication: [(NHC)CoR₂]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.
• Authors of publication: Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 98
• Pages of publication: 13798 - 13801
• a: 11.8818 ± 0.0001 Å
• b: 20.2773 ± 0.0001 Å
• c: 11.9197 ± 0.0001 Å
• α: 90°
• β: 91.93 ± 0.001°
• γ: 90°
• Cell volume: 2870.19 ± 0.04 ų
• Cell temperature: 104 ± 1 K
• Ambient diffraction temperature: 104 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.083
• 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
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No