Information card for entry 7044575

Structure parameters

• Formula: C38 H49 Cl N4 Si Te
• Calculated formula: C38 H49 Cl N4 Si Te
• SMILES: [Te]=[Si+](c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=C1N(C(=C(N1C)C)C)C)=C1N(C(=C(N1C)C)C)C.[Cl-]
• Title of publication: Chalcogen-Atom Transfer and Exchange Reactions of NHC-Stabilized Heavier Silaacylium Ions
• Authors of publication: Sarkar, Debotra; Wendel, Daniel; Ahmad, Syed Usman; Szilvási, Tibor; Pöthig, Alexander; Inoue, Shigeyoshi
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.1902 ± 0.00015 Å
• b: 11.67686 ± 0.00009 Å
• c: 17.23519 ± 0.00013 Å
• α: 90°
• β: 92.6576 ± 0.0007°
• γ: 90°
• Cell volume: 3656.89 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0322
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No