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Information card for entry 7240476
Preview
| Coordinates | 7240476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H53 Au N P S |
|---|---|
| Calculated formula | C42 H53 Au N P S |
| SMILES | c12cc(ccc1c1ccc(cc1C2(CC)CC)c1nc2ccccc2s1)[Au][P](C1CCCCC1)(C1CCCCC1)C1CCCCC1 |
| Title of publication | Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. |
| Authors of publication | Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 21 |
| Pages of publication | 11915 - 11927 |
| a | 12.571 ± 0.0008 Å |
| b | 12.7256 ± 0.0008 Å |
| c | 13.7715 ± 0.0009 Å |
| α | 104.775 ± 0.002° |
| β | 104.891 ± 0.002° |
| γ | 111.277 ± 0.002° |
| Cell volume | 1829.6 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.0215 |
| Weighted residual factors for significantly intense reflections | 0.0446 |
| Weighted residual factors for all reflections included in the refinement | 0.0463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254000 (current) | 2020-07-06 | cif/ Updating files of 7240475, 7240476, 7240477 Original log message: Adding full bibliography for 7240475--7240477.cif. |
7240476.cif |
| 251842 | 2020-05-07 | cif/ Adding structures of 7240475, 7240476, 7240477 via cif-deposit CGI script. |
7240476.cif |
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Users of the data should acknowledge the original authors of the
structural data.