Information card for entry 4129591

Structure parameters

• Formula: C50 H66 Cl2 Co2 N4
• Calculated formula: C50 H66 Cl2 Co2 N4
• SMILES: CC1=[N](c2c(cccc2CC)CC)[Co]2(N(c3c(cccc3CC)CC)C(=C1)C)[Cl][Co]1(N(c3c(cccc3CC)CC)C(=CC(=[N]1c1c(cccc1CC)CC)C)C)[Cl]2
• 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: 13.2587 ± 0.0002 Å
• b: 12.2469 ± 0.0002 Å
• c: 15.3894 ± 0.0011 Å
• α: 90°
• β: 109.993 ± 0.008°
• γ: 90°
• Cell volume: 2348.3 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0245
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No