Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 3000551
Preview
| Coordinates | 3000551.cif |
|---|---|
| Structure factors | 3000551.hkl |
| Original paper (by DOI) | HTML |
| Formula | C27 H36 Ag Cl N12 |
|---|---|
| Calculated formula | C27 H36 Ag Cl N12 |
| 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 | 15.4163 ± 0.0013 Å |
| b | 15.4163 ± 0.0013 Å |
| c | 7.1248 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1466.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301994 (current) | 2025-09-03 | cif/ hkl/ Updating files of 3000551 Original log message: Releasing structure 3000551 into public domain as published material. |
3000551.cif 3000551.hkl |
| 292397 | 2024-06-14 | cif/ hkl/ Adding structures of 3000551 via cif-deposit CGI script. |
3000551.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.