Information card for entry 4512514

Structure parameters

• Formula: C38 H57 Co N2
• Calculated formula: C38 H57 Co N2
• SMILES: [Co]123([N](=C(C(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C)C1CC(C[CH]3=[C]21C)C(C)C
• 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: 38.978 ± 0.005 Å
• b: 10.046 ± 0.005 Å
• c: 18.259 ± 0.005 Å
• α: 90 ± 0.005°
• β: 104.3 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6928 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No