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Information card for entry 4131312
Preview
| Coordinates | 4131312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 Au N |
|---|---|
| Calculated formula | C19 H14 Au N |
| SMILES | [Au](C#[N]c1c(cccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups. |
| Authors of publication | Jin, Mingoo; Seki, Tomohiro; Ito, Hajime |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 22 |
| Pages of publication | 7452 - 7455 |
| a | 9.9203 ± 0.0007 Å |
| b | 13.1108 ± 0.0007 Å |
| c | 13.241 ± 0.0011 Å |
| α | 105.287 ± 0.003° |
| β | 98.379 ± 0.002° |
| γ | 110.223 ± 0.004° |
| Cell volume | 1504.51 ± 0.19 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1464 |
| Residual factor for significantly intense reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.1751 |
| Weighted residual factors for all reflections included in the refinement | 0.2566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241543 (current) | 2019-11-25 | cif/ Adding structures of 4131310, 4131311, 4131312 via cif-deposit CGI script. |
4131312.cif |
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Users of the data should acknowledge the original authors of the
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