Information card for entry 1559864

Structure parameters

• Formula: C32 H30 N2 S4 Si2
• Calculated formula: C32 H30 N2 S4 Si2
• SMILES: s1c2c(c3c(sc(c3)c3ccncc3)c3sc([Si](C)(C)C)cc3c3cc(sc23)c2ccncc2)cc1[Si](C)(C)C
• Title of publication: Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties.
• Authors of publication: Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua
• Journal of publication: Soft matter
• Year of publication: 2021
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 341 - 345
• a: 38.5368 ± 0.0012 Å
• b: 38.5368 ± 0.0012 Å
• c: 13.3783 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17206.1 ± 1.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.51 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No