Information card for entry 7044576

Structure parameters

• Formula: C44 H58 Cl N7 Se Si
• Calculated formula: C44 H58 Cl N7 Se Si
• SMILES: [Se]=[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.N#CC.[Cl-].N#CC.N#CC
• 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: 15.2505 ± 0.0004 Å
• b: 16.9089 ± 0.0004 Å
• c: 17.7605 ± 0.0003 Å
• α: 75.462 ± 0.002°
• β: 77.484 ± 0.002°
• γ: 82.684 ± 0.002°
• Cell volume: 4314.98 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.02 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No