Information card for entry 7017658

Structure parameters

• Formula: C19 H18 N2 O S Si
• Calculated formula: C19 H18 N2 O S Si
• SMILES: C[Si]12([n]3ccccc3CN1c1ccccc1S2)Oc1ccccc1
• Title of publication: Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.
• Authors of publication: Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2148 - 2162
• a: 10.258 ± 0.002 Å
• b: 7.6485 ± 0.0012 Å
• c: 22.037 ± 0.005 Å
• α: 90°
• β: 94.92 ± 0.03°
• γ: 90°
• Cell volume: 1722.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No