Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564648
Preview
| Coordinates | 1564648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C123 H90 Al3 F114 Fe3 O12 P15 Te3 |
|---|---|
| Calculated formula | C111 H82 Al3 F110 Fe3 O12 P15 Te3 |
| Title of publication | Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block |
| Authors of publication | Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 18.1681 ± 0.0007 Å |
| b | 19.4877 ± 0.0007 Å |
| c | 28.8463 ± 0.001 Å |
| α | 77.316 ± 0.003° |
| β | 72.113 ± 0.003° |
| γ | 64.085 ± 0.004° |
| Cell volume | 8698.6 ± 0.6 Å3 |
| Cell temperature | 122.99 ± 0.1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0844 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.1662 |
| Weighted residual factors for all reflections included in the refinement | 0.1815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269134 (current) | 2021-09-15 | cif/ Adding structures of 1564638, 1564639, 1564640, 1564641, 1564642, 1564643, 1564644, 1564645, 1564646, 1564647, 1564648 via cif-deposit CGI script. |
1564648.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.