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Information card for entry 1556613
Preview
| Coordinates | 1556613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H16 N2 |
|---|---|
| Calculated formula | C28 H16 N2 |
| SMILES | c1(c2ccccc2c(c2ccccc12)C#Cc1cccnc1)C#Cc1cccnc1 |
| Title of publication | Arene Ruthenium Metalla-Assemblies with Anthracene Moieties for PDT Application |
| Authors of publication | Gaschard, M.; Nehzat, F.; Cheminel, T.; Therrien, B. |
| Journal of publication | Inorganics |
| Year of publication | 2018 |
| Journal volume | 6 |
| Pages of publication | 97 |
| a | 5.0015 ± 0.0006 Å |
| b | 16.944 ± 0.002 Å |
| c | 11.5374 ± 0.0015 Å |
| α | 90° |
| β | 92.433 ± 0.01° |
| γ | 90° |
| Cell volume | 976.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2449 |
| Residual factor for significantly intense reflections | 0.0799 |
| Weighted residual factors for significantly intense reflections | 0.1714 |
| Weighted residual factors for all reflections included in the refinement | 0.2388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.805 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245250 (current) | 2019-12-17 | cif/ Adding structures of 1556612, 1556613 via cif-deposit CGI script. |
1556613.cif |
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Users of the data should acknowledge the original authors of the
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