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Information card for entry 7237412
Preview
Coordinates | 7237412.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H38 Cu F6 N2 O P3 S |
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Calculated formula | C47 H38 Cu F6 N2 O P3 S |
Title of publication | [Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells |
Authors of publication | Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E. |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2018 |
Journal volume | 6 |
Journal issue | 31 |
Pages of publication | 8460 |
a | 9.9139 ± 0.0009 Å |
b | 14.2468 ± 0.0013 Å |
c | 15.7717 ± 0.0014 Å |
α | 82.112 ± 0.003° |
β | 84.629 ± 0.003° |
γ | 71.123 ± 0.003° |
Cell volume | 2085 ± 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 | 0.0454 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for all reflections | 0.0847 |
Weighted residual factors for significantly intense reflections | 0.0847 |
Weighted residual factors for all reflections included in the refinement | 0.0847 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9337 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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