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Information card for entry 3000549
Preview
| Coordinates | 3000549.cif |
|---|---|
| Structure factors | 3000549.hkl |
| Original paper (by DOI) | HTML |
| Formula | C19 H29 Ag F3 N8 O5.5 S |
|---|---|
| Calculated formula | C19 H29 Ag F3 N8 O5.5 S |
| Title of publication | Silver Binding Dichotomy for 7-Deazaadenine/Thymine: Preference for Watson-Crick Pairing over Homobase Interactions in DNA. |
| Authors of publication | López-Chamorro, Carmen; Pérez-Romero, Antonio; Domínguez-Martín, Alicia; Javornik, Uroš; Palacios, Oscar; Plavec, Janez; Galindo, Miguel A |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2025 |
| Journal volume | 64 |
| Journal issue | 28 |
| Pages of publication | 14455 - 14465 |
| a | 9.7541 ± 0.0004 Å |
| b | 13.908 ± 0.0006 Å |
| c | 20.0815 ± 0.0007 Å |
| α | 81.523 ± 0.001° |
| β | 82.143 ± 0.001° |
| γ | 78.681 ± 0.001° |
| Cell volume | 2625.72 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
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