Information card for entry 7129812

Structure parameters

• Formula: C12 H9 N3 O S2 Zn
• Calculated formula: C12 H9 N3 O S2 Zn
• Title of publication: Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2
• Authors of publication: Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.4884 ± 0.0012 Å
• b: 11.9978 ± 0.0019 Å
• c: 7.5106 ± 0.0012 Å
• α: 90°
• β: 101.799 ± 0.002°
• γ: 90°
• Cell volume: 660.53 ± 0.18 ų
• Cell temperature: 179 ± 2 K
• Ambient diffraction temperature: 179 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No