Information card for entry 7047178

Structure parameters

• Formula: C28 H36 B Co N3 O3
• Calculated formula: C28 H36 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: 14.3233 ± 0.0007 Å
• b: 13.3449 ± 0.0006 Å
• c: 15.9647 ± 0.0007 Å
• α: 90°
• β: 114.139 ± 0.001°
• γ: 90°
• Cell volume: 2784.7 ± 0.2 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: 0.0436
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No