Information card for entry 7129808

Structure parameters

• Formula: C12 H12 N2 S2 Zn
• Calculated formula: C12 H12 N2 S2 Zn
• SMILES: [Zn]12([n]3c(SC2Sc2[n]1cccc2)cccc3)C
• 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: 9.8784 ± 0.0015 Å
• b: 7.7634 ± 0.0012 Å
• c: 17.249 ± 0.003 Å
• α: 90°
• β: 91.619 ± 0.002°
• γ: 90°
• Cell volume: 1322.3 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1755
• 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