Information card for entry 1570797

Structure parameters

• Chemical name: (SIMes)AgMe
• Formula: C22 H29 Ag N2
• Calculated formula: C22 H29 Ag N2
• 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: 17.3928 ± 0.0006 Å
• b: 14.3855 ± 0.0004 Å
• c: 17.9551 ± 0.0006 Å
• α: 90°
• β: 112.995 ± 0.004°
• γ: 90°
• Cell volume: 4135.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.033
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No