Information card for entry 4512512

Structure parameters

• Formula: C37 H56 Co N3 Si
• Calculated formula: C37 H56 Co N3 Si
• SMILES: CC1C(C)=[N](c2c(cccc2C(C)C)C(C)C)[Co](C[Si](C)(C)C)([N]=1c1c(cccc1C(C)C)C(C)C)[n]1ccccc1
• Title of publication: High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands
• Authors of publication: Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 622
• a: 17.8016 ± 0.0002 Å
• b: 12.0498 ± 0.0002 Å
• c: 18.7953 ± 0.0002 Å
• α: 90°
• β: 117.63 ± 0.001°
• γ: 90°
• Cell volume: 3571.93 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No