Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250455
Preview
| Coordinates | 7250455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H17 Au Cl3 N3 O |
|---|---|
| Calculated formula | C10 H17 Au Cl3 N3 O |
| Title of publication | Synthesis, X-ray characterization, and DFT calculations of gold-nucleobase complexes: On the importance of regium bonds and anion–π interactions |
| Authors of publication | Buils Casasnovas, Jordi; TERRON, ANGEL; Barceló-Oliver, Miquel; FIOL, JUAN J J; Garcia-Raso, Angel; Gomila, Rosa Maria; Frontera, Antonio |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 16.1471 ± 0.0011 Å |
| b | 8.4748 ± 0.0005 Å |
| c | 11.769 ± 0.0007 Å |
| α | 90° |
| β | 105.399 ± 0.003° |
| γ | 90° |
| Cell volume | 1552.69 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.0641 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299852 (current) | 2025-05-29 | cif/ Adding structures of 7250455, 7250456 via cif-deposit CGI script. |
7250455.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.