Information card for entry 4336092

Structure parameters

• Formula: C16 H13 I N2 S2 Si
• Calculated formula: C16 H13 I N2 S2 Si
• SMILES: [I-].c12cccc[n]1[Si]1(c3ccccc3)(S2)[n]2c(cccc2)S1
• Title of publication: Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands
• Authors of publication: Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10664 - 10676
• a: 9.969 ± 0.003 Å
• b: 9.969 ± 0.003 Å
• c: 16.595 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1428.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No