Information card for entry 4086757

Structure parameters

• Formula: C20 H36 B2 Co O12
• Calculated formula: C20 H36 B2 Co O12
• SMILES: [B]123[O](C(C(C)(C)O1)(C)C)[Co]14([O]=C(C)O2)([O]=C(O3)C)[O]2[B](OC(C2(C)C)(C)C)(OC(C)=[O]1)OC(=[O]4)C
• Title of publication: Cobalt-Catalyzed C(sp2)‒H Borylation with an Air-Stable, Readily Prepared Terpyridine Cobalt(II) Bis(acetate) Precatalyst
• Authors of publication: Léonard, Nadia G.; Bezdek, Máté J.; Chirik, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 142
• a: 30.55 ± 0.0014 Å
• b: 30.55 ± 0.0014 Å
• c: 8.2057 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6632.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No