Information card for entry 2017619

Structure parameters

• Chemical name: [2-(3-methoxy-2-oxidobenzylideneamino)phenolato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>']dimethylsilicon
• Formula: C16 H17 N O3 Si
• Calculated formula: C16 H17 N O3 Si
• SMILES: [Si]12(Oc3c(C=[N]2c2c(O1)cccc2)cccc3OC)(C)C
• Title of publication: Pentacoordination <i>versus</i> tetracoordination in silicon derivatives of an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand
• Authors of publication: Böhme, Uwe; Fels, Sabine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o202 - o205
• a: 9.0207 ± 0.0003 Å
• b: 12.8134 ± 0.0005 Å
• c: 12.9427 ± 0.0005 Å
• α: 90°
• β: 91.303 ± 0.002°
• γ: 90°
• Cell volume: 1495.61 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes