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Information card for entry 1570794
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Coordinates | 1570794.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (SIMes)AgBHT |
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Chemical name | (SIMes)AgOAr |
Formula | C36 H49 Ag N2 O |
Calculated formula | C36 H49 Ag N2 O |
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 | 10.681 ± 0.0002 Å |
b | 13.7656 ± 0.0002 Å |
c | 22.8895 ± 0.0004 Å |
α | 90° |
β | 93.616 ± 0.001° |
γ | 90° |
Cell volume | 3358.75 ± 0.1 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0266 |
Residual factor for significantly intense reflections | 0.0262 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.074 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1570794.html
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Users of the data should acknowledge the original authors of the
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