Information card for entry 4514770

Structure parameters

• Chemical name: [(7DiPP)Zn(H)NTf2]
• Formula: C26.67 H32.67 Cl2 F4 N2 O2.67 S1.33 Zn0.67
• Calculated formula: C26.6667 H32.6667 Cl2 F4 N2 O2.66667 S1.33333 Zn0.666667
• 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: 10.0474 ± 0.0006 Å
• b: 16.5268 ± 0.0015 Å
• c: 16.5479 ± 0.0014 Å
• α: 117.002 ± 0.009°
• β: 106.69 ± 0.006°
• γ: 94.539 ± 0.006°
• Cell volume: 2273.4 ± 0.4 ų
• Cell temperature: 150 ± 0.3 K
• Ambient diffraction temperature: 150 ± 0.3 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No