Information card for entry 7017654

Structure parameters

• Formula: C19 H15 N3 S2 Si
• Calculated formula: C19 H15 N3 S2 Si
• SMILES: c1(ccccc1)[Si]12(N(c3c(cccc3)S2)Cc2cccc[n]12)N=C=S
• 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: 11.1469 ± 0.0013 Å
• b: 22.193 ± 0.003 Å
• c: 29.661 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7337.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1711
• 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