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Information card for entry 1570798
Preview
| Coordinates | 1570798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 | <sup>109</sup>Ag 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290116 (current) | 2024-03-04 | cif/ Updating files of 1570794, 1570795, 1570796, 1570797, 1570798, 1570799, 1570800 Original log message: Adding full bibliography for 1570794--1570800.cif. |
1570798.cif |
| 289123 | 2024-01-18 | cif/ Adding structures of 1570794, 1570795, 1570796, 1570797, 1570798, 1570799, 1570800 via cif-deposit CGI script. |
1570798.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.