Information card for entry 7047184

Structure parameters

• Formula: C25 H38 B Co N3 O3
• Calculated formula: C25 H38 B Co N3 O3
• Title of publication: Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.
• Authors of publication: Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12147 - 12161
• a: 13.5919 ± 0.0016 Å
• b: 11.0811 ± 0.0013 Å
• c: 17.801 ± 0.002 Å
• α: 90°
• β: 95.162 ± 0.0019°
• γ: 90°
• Cell volume: 2670.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No