Information card for entry 7036871

Structure parameters

• Common name: siliconthiodichloride stabilized by cyclicalkylaminocarbene
• Formula: C20 H31 Cl2 N S Si
• Calculated formula: C20 H31 Cl2 N S Si
• SMILES: Cl[Si](Cl)(=S)=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Monomeric siliconthiodichloride trapped by a Lewis base.
• Authors of publication: Roy, Sudipta; Mondal, Kartik Chandra; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Roesky, Herbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 19942 - 19947
• a: 16.115 ± 0.005 Å
• b: 16.04 ± 0.007 Å
• c: 17.0193 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4399 ± 2 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 6
• 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: 0.0624
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.4765 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No