Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1546805
Preview
| Coordinates | 1546805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Complex of AgPF6 with tris(2-pyridyl)phosphine |
|---|---|
| Formula | C62 H51 Ag5 F30 N13 P9 |
| Calculated formula | C62 H51 Ag5 F30 N13 P9 |
| SMILES | [Ag]12[n]3c([P]45[Ag]67[P]89c%10[n]([Ag]([n]%11ccccc%11[P]6(c6[n]1cccc6)c1[n]([Ag]([n]6c4cccc6)([n]4c8cccc4)[N]#CC)cccc1)[n]1ccccc1[P]7(c1[n]2cccc1)c1[n]([Ag]([n]2ccccc52)[n]2c9cccc2)cccc1)cccc%10)cccc3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | A new family of clusters containing a silver-centered tetracapped [Ag@Ag <sub>4</sub> (μ <sub>3</sub> -P) <sub>4</sub> ] tetrahedron, inscribed within a N <sub>12</sub> icosahedron |
| Authors of publication | Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 37 |
| Pages of publication | 12425 - 12429 |
| a | 18.482 ± 0.002 Å |
| b | 22.8 ± 0.003 Å |
| c | 24.67 ± 0.004 Å |
| α | 90° |
| β | 96.39 ± 0.006° |
| γ | 90° |
| Cell volume | 10331 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.177 |
| Residual factor for significantly intense reflections | 0.0804 |
| Weighted residual factors for significantly intense reflections | 0.1962 |
| Weighted residual factors for all reflections included in the refinement | 0.2689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1546805.cif |
| 199916 | 2017-08-24 | cif/ Adding structures of 1546804, 1546805, 1546806, 1546807 via cif-deposit CGI script. |
1546805.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.