Information card for entry 1567433

Structure parameters

• Formula: C12 H14 N2 S2 Si
• Calculated formula: C12 H14 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: 9.7145 ± 0.0004 Å
• b: 11.5896 ± 0.0005 Å
• c: 12.9509 ± 0.0006 Å
• α: 73.601 ± 0.003°
• β: 89.903 ± 0.003°
• γ: 85.998 ± 0.003°
• Cell volume: 1395.13 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No