Information card for entry 1567436

Structure parameters

• Formula: C22 H18 N2 S2 Si
• Calculated formula: C22 H18 N2 S2 Si
• Title of publication: Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution
• Authors of publication: Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg
• Journal of publication: Crystals
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1054
• a: 12.3581 ± 0.0004 Å
• b: 12.704 ± 0.0004 Å
• c: 12.5693 ± 0.0004 Å
• α: 90°
• β: 90.262 ± 0.002°
• γ: 90°
• Cell volume: 1973.33 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No