Information card for entry 1570798

Structure parameters

• Common name: (SIMes)AgOTBOS
• Chemical name: (SIMes)Ag(OSi(OtBu)3)
• Formula: C33 H53 Ag N2 O4 Si
• Calculated formula: C33 H53 Ag N2 O4 Si
• Title of publication: ¹⁰⁹Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.
• Authors of publication: Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3028 - 3032
• a: 11.1099 ± 0.0002 Å
• b: 16.5691 ± 0.0002 Å
• c: 19.2966 ± 0.0003 Å
• α: 90°
• β: 104.487 ± 0.002°
• γ: 90°
• Cell volume: 3439.2 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No