Information card for entry 7129815

Structure parameters

• Formula: C11 H9 Br N2 S2 Zn
• Calculated formula: C11 H9 Br N2 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: 7.7673 ± 0.0014 Å
• b: 17.231 ± 0.003 Å
• c: 19.818 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2652.4 ± 0.9 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No