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Information card for entry 7034960
Preview
Coordinates | 7034960.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H42 B Cl0 Cu F4 N4 O P2 |
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Calculated formula | C55 H42 B Cu F4 N4 O P2 |
SMILES | [Cu]12([P](c3ccccc3)(c3ccccc3Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1ccccc1)[n]1c(n(nc1c1ccccc1)c1ccccc1)c1[n]2cccc1.[B](F)(F)(F)[F-] |
Title of publication | Photo- and electro-luminescence of four cuprous complexes with sterically demanding and hole transmitting diimine ligands. |
Authors of publication | Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 21 |
Pages of publication | 10022 - 10029 |
a | 20.846 ± 0.005 Å |
b | 17.594 ± 0.005 Å |
c | 29.817 ± 0.007 Å |
α | 90° |
β | 90.721 ± 0.005° |
γ | 90° |
Cell volume | 10935 ± 5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 9 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0992 |
Residual factor for significantly intense reflections | 0.0946 |
Weighted residual factors for significantly intense reflections | 0.3033 |
Weighted residual factors for all reflections included in the refinement | 0.3088 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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