Information card for entry 4000976

Structure parameters

• Formula: C78 H62 Ag B F4 S4 Si
• Calculated formula: C78 H62 Ag B F4 S4 Si
• Title of publication: Shape-Selective Sorption and Fluorescence Sensing of Aromatics in a Flexible Network of Tetrakis[(4-methylthiophenyl)ethynyl]silane and AgBF4
• Authors of publication: Huang, Guo; Yang, Chen; Xu, Zhengtao; Wu, Haohan; Li, Jing; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 3
• Pages of publication: 541
• a: 17.6591 ± 0.0017 Å
• b: 17.6477 ± 0.0017 Å
• c: 42.628 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13285 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1044
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No