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Information card for entry 1557227
Preview
| Coordinates | 1557227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52.1 H40.2 Br2 Cl2.2 Cu F6 N2 O P3 |
|---|---|
| Calculated formula | C51 H38 Br2 Cu F6 N2 O P3 |
| Title of publication | Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands |
| Authors of publication | Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. |
| Journal of publication | Inorganics |
| Year of publication | 2020 |
| Journal volume | 8 |
| Journal issue | 1 |
| Pages of publication | 4 |
| a | 33.3182 ± 0.0016 Å |
| b | 14.105 ± 0.0006 Å |
| c | 11.8205 ± 0.0005 Å |
| α | 90° |
| β | 102.059 ± 0.004° |
| γ | 90° |
| Cell volume | 5432.5 ± 0.4 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 9 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0863 |
| Residual factor for significantly intense reflections | 0.0728 |
| Weighted residual factors for significantly intense reflections | 0.1853 |
| Weighted residual factors for all reflections included in the refinement | 0.1973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34143 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247851 (current) | 2020-02-05 | cif/ Adding structures of 1557227 via cif-deposit CGI script. |
1557227.cif |
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