Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7043938
Preview
| Coordinates | 7043938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H48 Ag Br P2 |
|---|---|
| Calculated formula | C42 H48 Ag Br P2 |
| SMILES | [Ag]1(Br)[P](c2c(cccc2)C(C)C)(c2c(cccc2)C(C)C)c2ccccc2[P]1(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C |
| Title of publication | Photoluminescence properties of TADF-emitting three-coordinate silver(I) halide complexes with diphosphine ligands: a comparison study with copper(I) complexes |
| Authors of publication | Osawa, Masahisa; Hashimoto, Masashi; Kawata, Isao; Hoshino, Mikio |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 20.3555 ± 0.0014 Å |
| b | 9.5582 ± 0.0006 Å |
| c | 19.5813 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3809.8 ± 0.4 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.026 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0395 |
| Weighted residual factors for all reflections included in the refinement | 0.0412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199689 (current) | 2017-08-10 | cif/ Adding structures of 7043938, 7043939, 7043940 via cif-deposit CGI script. |
7043938.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.