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Information card for entry 1557226
Preview
| Coordinates | 1557226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3 |
|---|---|
| Calculated formula | C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 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 | 10.1768 ± 0.0008 Å |
| b | 13.7504 ± 0.0011 Å |
| c | 20.1505 ± 0.0016 Å |
| α | 90.204 ± 0.002° |
| β | 98.12 ± 0.002° |
| γ | 99.535 ± 0.002° |
| Cell volume | 2751.9 ± 0.4 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247850 (current) | 2020-02-05 | cif/ Adding structures of 1557226 via cif-deposit CGI script. |
1557226.cif |
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