Information card for entry 4514293

Structure parameters

• Formula: C46 H48 N4 Zn
• Calculated formula: C46 H48 N4 Zn
• Title of publication: Zinc-Catalyzed Hydrosilylation and Hydroboration of N-Heterocycles
• Authors of publication: Lortie, John L.; Dudding, Travis; Gabidullin, Bulat M.; Nikonov, Georgii I.
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 8454
• a: 12.1191 ± 0.0018 Å
• b: 13.987 ± 0.002 Å
• c: 14.338 ± 0.002 Å
• α: 66.838 ± 0.002°
• β: 73.267 ± 0.002°
• γ: 64.731 ± 0.002°
• Cell volume: 1999.6 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No