Information card for entry 4121477

Structure parameters

• Formula: C23 H46 Co N P2 Si
• Calculated formula: C23 H46 Co N P2 Si
• SMILES: C1c2cccc3C[P](C(C)C)(C(C)C)[Co](C[Si](C)(C)C)([n]23)[P]1(C(C)C)C(C)C
• Title of publication: Cobalt-catalyzed C-h borylation.
• Authors of publication: Obligacion, Jennifer V.; Semproni, Scott P.; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 11
• Pages of publication: 4133 - 4136
• a: 14.0952 ± 0.001 Å
• b: 10.4443 ± 0.0007 Å
• c: 18.2567 ± 0.0012 Å
• α: 90°
• β: 99.535 ± 0.001°
• γ: 90°
• Cell volume: 2650.5 ± 0.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No