Information card for entry 1577390

Structure parameters

• Chemical name: Tetrakis(4-(methylthio)phenyl)silane
• Formula: C28 H28 S4 Si
• Calculated formula: C28 H28 S4 Si
• Title of publication: Enhanced electronic coupling in tetraaryl molecular junctions with osmium(IV) centers
• Authors of publication: Zagami, Luana; Sharma, Mukund; Fraire, Andrew; Avedian, Cynthia; Olivar, Clarissa; Czyszczon-Burton, Thomas M.; Prana, Jazmine; Yergeshbayeva, Sandugash; Camarasa-Gómez, María; Hernangómez-Pérez, Daniel; Inkpen, Michael Stephen
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 13.3502 ± 0.0002 Å
• b: 13.3502 ± 0.0002 Å
• c: 7.3339 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1307.11 ± 0.05 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No