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Information card for entry 4123586
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| Coordinates | 4123586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PTA |
|---|---|
| Chemical name | 1,3,5-triaza-7-phosphaadamantane |
| Formula | C6 H12 N3 P |
| Calculated formula | C6 H12 N3 P |
| SMILES | C1N2CN3CP1CN(C3)C2 |
| 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 | 9.4937 ± 0.0001 Å |
| b | 9.4937 ± 0.0001 Å |
| c | 6.9591 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 543.194 ± 0.018 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 160 |
| Hermann-Mauguin space group symbol | R 3 m :H |
| Hall space group symbol | R 3 -2" |
| Residual factor for all reflections | 0.0165 |
| Residual factor for significantly intense reflections | 0.0163 |
| Weighted residual factors for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections included in the refinement | 0.0494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4123586.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. |
4123586.cif |
| 136286 | 2015-05-13 | cif/ Adding structures of 4123586 via cif-deposit CGI script. |
4123586.cif |
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Users of the data should acknowledge the original authors of the
structural data.