Information card for entry 1570799

Structure parameters

• Common name: (IMes)AgTBOS
• Chemical name: (IMes)Ag(OSi(OtBu)3)
• Formula: C33 H51 Ag N2 O4 Si
• Calculated formula: C33 H51 Ag N2 O4 Si
• SMILES: [Ag](O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C
• 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: 11.1581 ± 0.0002 Å
• b: 16.6129 ± 0.0002 Å
• c: 19.1762 ± 0.0003 Å
• α: 90°
• β: 104.952 ± 0.002°
• γ: 90°
• Cell volume: 3434.31 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No