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Information card for entry 7043940
Preview
| Coordinates | 7043940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H40 Ag Br P2 |
|---|---|
| Calculated formula | C38 H40 Ag Br P2 |
| SMILES | [Ag]1(Br)[P](c2c(cccc2)CC)(c2c(cccc2)CC)c2ccccc2[P]1(c1c(cccc1)CC)c1c(cccc1)CC |
| 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 | 10.48 ± 0.001 Å |
| b | 11.6374 ± 0.0009 Å |
| c | 15.214 ± 0.0016 Å |
| α | 80.148 ± 0.006° |
| β | 87.232 ± 0.006° |
| γ | 64.089 ± 0.004° |
| Cell volume | 1643.6 ± 0.3 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
7043940.cif |
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Users of the data should acknowledge the original authors of the
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