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Information card for entry 3000548
Preview
| Coordinates | 3000548.cif |
|---|---|
| Structure factors | 3000548.hkl |
| Original paper (by DOI) | HTML |
| Formula | C18 H24.6 Ag B F4 N8 O0.3 |
|---|---|
| Calculated formula | C18 H24.6 Ag B F4 N8 O0.3 |
| 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 | 15.7746 ± 0.001 Å |
| b | 9.7554 ± 0.0006 Å |
| c | 16.5821 ± 0.0009 Å |
| α | 90° |
| β | 117.686 ± 0.002° |
| γ | 90° |
| Cell volume | 2259.6 ± 0.2 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0252 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.0608 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301991 (current) | 2025-09-03 | cif/ hkl/ Updating files of 3000548 Original log message: Releasing structure 3000548 into public domain as published material. |
3000548.cif 3000548.hkl |
| 292394 | 2024-06-14 | cif/ hkl/ Adding structures of 3000548 via cif-deposit CGI script. |
3000548.cif |
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Users of the data should acknowledge the original authors of the
structural data.