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Information card for entry 7040572
Preview
Coordinates | 7040572.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H48.6 Cu F8 N2 O1.8 P3 |
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Calculated formula | C60 H48.6 Cu F8 N2 O1.8 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 | 11.8717 ± 0.0007 Å |
b | 14.5153 ± 0.0011 Å |
c | 17.3347 ± 0.0011 Å |
α | 76.797 ± 0.005° |
β | 84.595 ± 0.004° |
γ | 88.547 ± 0.004° |
Cell volume | 2895.2 ± 0.3 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1526 |
Residual factor for significantly intense reflections | 0.1078 |
Weighted residual factors for all reflections | 0.3329 |
Weighted residual factors for significantly intense reflections | 0.2856 |
Weighted residual factors for all reflections included in the refinement | 0.3326 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0746 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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