Information card for entry 4129594

Structure parameters

• Formula: C27 H31 Co N2
• Calculated formula: C27 H31 Co N2
• SMILES: C1=CC=[N]([Co]23456([cH]7[cH]2[cH]3[cH]4[cH]5[cH]67)N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.
• Authors of publication: Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 41
• Pages of publication: 13244 - 13247
• a: 16.0692 ± 0.0004 Å
• b: 16.4154 ± 0.0009 Å
• c: 8.581 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2263.5 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No