Information card for entry 7112494

Structure parameters

• Formula: C60 H104 Ag4 N4 S12 Si8
• Calculated formula: C60 H104 Ag4 N4 S12 Si8
• SMILES: [Ag]1[S]([Si](S)(S)N([Si](C)(C)C)c2c(cccc2C(C)C)C(C)C)[Ag][S]([Ag][S]([Si](S)(S)N([Si](C)(C)C)c2c(cccc2C(C)C)C(C)C)[Ag][S]1[Si](S)(S)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)[Si](S)(S)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 15.031 ± 0.0006 Å
• b: 15.0658 ± 0.0007 Å
• c: 18.8598 ± 0.0006 Å
• α: 95.478 ± 0.003°
• β: 93.48 ± 0.003°
• γ: 98.395 ± 0.004°
• Cell volume: 4193.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1059
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No