Information card for entry 4086756

Structure parameters

• Formula: C27 H31 Co N4 Si
• Calculated formula: C27 H31 Co N4 Si
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Co](C[Si](C)(C)C)([n]12)[n]34)c1ccc(cc1)N(C)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: 7.7823 ± 0.0004 Å
• b: 12.9312 ± 0.0007 Å
• c: 14.5972 ± 0.0007 Å
• α: 107.693 ± 0.002°
• β: 90.109 ± 0.002°
• γ: 98.8 ± 0.002°
• Cell volume: 1381.19 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No