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Information card for entry 7119082
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Coordinates | 7119082.cif |
---|
Formula | C27 H39 Br Cu N |
---|---|
Calculated formula | C27 H39 Br Cu N |
SMILES | [Cu](Br)=C1N(C(C)(C)CC21C1CC3CC2CC(C1)C3)c1c(C(C)C)cccc1C(C)C |
Title of publication | Highly photoluminescent copper carbene complexes based on prompt rather than delayed fluorescence |
Authors of publication | Alexander S. Romanov; Dawei Di; Le Yang; Julio Fernandez-Cestau; Ciaran R. Becker; Charlotte E. James; Bonan Zhu; Mikko Linnolahti; Dan Credgington; Manfred Bochmann |
Journal of publication | Chem.Commun. |
Year of publication | 2016 |
Journal volume | 52 |
Pages of publication | 6379 |
a | 16.0878 ± 0.0002 Å |
b | 19.4137 ± 0.0003 Å |
c | 16.2912 ± 0.0003 Å |
α | 90° |
β | 103.54 ± 0.002° |
γ | 90° |
Cell volume | 4946.71 ± 0.14 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0643 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.1479 |
Weighted residual factors for all reflections included in the refinement | 0.1574 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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