Information card for entry 4129592

Structure parameters

• Common name: holcc07
• Formula: C50 H66 Co2 N4
• Calculated formula: C50 H66 Co2 N4
• SMILES: CC1=[N]2[c]34[C]5([cH]6[cH]7[cH]([c]38C)[Co]345678N([c]45[c]6([Co]57892(N(c2c(CC)cccc2CC)C(=C1)C)[cH]([c]48CC)[cH]9[cH]67)CC)C(=CC(=[N]3c1c(cccc1CC)CC)C)C)CC
• 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: 13.021 ± 0.004 Å
• b: 11.662 ± 0.004 Å
• c: 14.06 ± 0.005 Å
• α: 90°
• β: 92.952 ± 0.005°
• γ: 90°
• Cell volume: 2132.2 ± 1.2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 4
• 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: 0.1018
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No