Information card for entry 7047182

Structure parameters

• Formula: C27.5 H40 B Co N3 O5
• Calculated formula: C25 H34 B Co N3 O5
• 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: 10.161 ± 0.0008 Å
• b: 10.5368 ± 0.0009 Å
• c: 13.7127 ± 0.0011 Å
• α: 89.764 ± 0.002°
• β: 78.934 ± 0.002°
• γ: 81.773 ± 0.002°
• Cell volume: 1425.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No