Information card for entry 7040570
| Formula |
C67 H61 Br2 Cu F6 N2 O2.5 P3 |
| Calculated formula |
C67 H61 Br2 Cu F6 N2 O2.5 P3 |
| Title of publication |
Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells. |
| Authors of publication |
Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E. |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2016 |
| Journal volume |
45 |
| Journal issue |
38 |
| Pages of publication |
15180 - 15192 |
| a |
10.8614 ± 0.0006 Å |
| b |
17.1071 ± 0.0008 Å |
| c |
18.6668 ± 0.0009 Å |
| α |
76.277 ± 0.003° |
| β |
85.698 ± 0.003° |
| γ |
77.922 ± 0.003° |
| Cell volume |
3293.7 ± 0.3 Å3 |
| Cell temperature |
123 K |
| Ambient diffraction temperature |
123 K |
| Number of distinct elements |
8 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1727 |
| Residual factor for significantly intense reflections |
0.1035 |
| Weighted residual factors for all reflections |
0.3243 |
| Weighted residual factors for significantly intense reflections |
0.2563 |
| Weighted residual factors for all reflections included in the refinement |
0.3243 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.969 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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