Information card for entry 7017652

Structure parameters

• Formula: C21.5 H19 Br N2 S Si
• Calculated formula: C21.5 H19 Br N2 S Si
• 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: 21.133 ± 0.004 Å
• b: 12.662 ± 0.003 Å
• c: 17.279 ± 0.004 Å
• α: 90°
• β: 121.25 ± 0.03°
• γ: 90°
• Cell volume: 3953 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No