Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4123582
Preview
| Coordinates | 4123582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4,7-triazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane trichloride hydrate |
|---|---|
| Formula | C9 H23.66 Cl3 N3 O1.33 P |
| Calculated formula | C9 H23.6667 Cl3 N3 O1.33333 P |
| SMILES | C1C[NH+]2CP3C[NH+](CC2)CC[NH+]1C3.[Cl-].[Cl-].[Cl-].O.O |
| Title of publication | Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand. |
| Authors of publication | Britvin, Sergey N.; Lotnyk, Andriy |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 16 |
| Pages of publication | 5526 - 5535 |
| a | 15.5458 ± 0.0008 Å |
| b | 7.0673 ± 0.0003 Å |
| c | 40.9852 ± 0.0017 Å |
| α | 90° |
| β | 99.247 ± 0.005° |
| γ | 90° |
| Cell volume | 4444.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4123582.cif |
| 138212 | 2015-06-05 | cif/ Updating files of 4123579, 4123580, 4123581, 4123582, 4123583, 4123584, 4123585, 4123586 Original log message: Adding full bibliography for 4123579--4123586.cif. |
4123582.cif |
| 136282 | 2015-05-13 | cif/ Adding structures of 4123582 via cif-deposit CGI script. |
4123582.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.