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Information card for entry 7250456
Preview
| Coordinates | 7250456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H36 Au Cl5 N6 O2 |
|---|---|
| Calculated formula | C20 H36 Au Cl5 N6 O2 |
| 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 | 6.8686 ± 0.0009 Å |
| b | 10.7183 ± 0.0014 Å |
| c | 20.6 ± 0.003 Å |
| α | 84.708 ± 0.006° |
| β | 86.889 ± 0.006° |
| γ | 72.364 ± 0.005° |
| Cell volume | 1438.6 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1102 |
| Residual factor for significantly intense reflections | 0.1083 |
| Weighted residual factors for significantly intense reflections | 0.2842 |
| Weighted residual factors for all reflections included in the refinement | 0.2851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| 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. |
7250456.cif |
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