Information card for entry 4514774

Structure parameters

• Chemical name: [IDiPPZnPh(THF)2][NTf2]
• Formula: C43 H57 F6 N3 O6 S2 Zn
• Calculated formula: C43 H57 F6 N3 O6 S2 Zn
• Title of publication: Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane
• Authors of publication: Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 5760
• a: 11.9544 ± 0.0004 Å
• b: 13.4764 ± 0.0005 Å
• c: 15.7416 ± 0.0005 Å
• α: 95.505 ± 0.003°
• β: 100.925 ± 0.003°
• γ: 110.249 ± 0.003°
• Cell volume: 2299.96 ± 0.15 ų
• Cell temperature: 149.9 ± 0.3 K
• Ambient diffraction temperature: 149.9 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No