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Information card for entry 1570798
Preview
Coordinates | 1570798.cif |
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Original paper (by DOI) | HTML |
Common name | (SIMes)AgOTBOS |
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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 |
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Users of the data should acknowledge the original authors of the
structural data.