Information card for entry 7112491

Structure parameters

• Formula: C27 H50 Cl2 Li N O3 S Si2
• Calculated formula: C27 H50 Cl2 Li N O3 S Si2
• Title of publication: Aminosilanetrithiol RSi(SH)3: an experimental and quantum-chemical study
• Authors of publication: Yan Li; Hongping Zhu; Diego M. Andrada; Gernot Frenking; Herbert W. Roesky
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4628
• a: 12.2912 ± 0.0014 Å
• b: 14.285 ± 0.0018 Å
• c: 19.527 ± 0.002 Å
• α: 90°
• β: 96.116 ± 0.012°
• γ: 90°
• Cell volume: 3409 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.2383
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.716
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No