Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2023087
Preview
| Coordinates | 2023087.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tribromido(4-methylpiperidine)gold(III) |
|---|---|
| Formula | C6 H13 Au Br3 N |
| Calculated formula | C6 H13 Au Br3 N |
| Title of publication | Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III) |
| Authors of publication | Döring, Cindy; Jones, Peter G. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 5 |
| a | 12.6471 ± 0.0005 Å |
| b | 8.7247 ± 0.0003 Å |
| c | 21.0262 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2320.08 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0388 |
| Weighted residual factors for all reflections included in the refinement | 0.0429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291289 (current) | 2024-04-19 | cif/ Adding structures of 2023085, 2023086, 2023087 via cif-deposit CGI script. |
2023087.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.