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Information card for entry 1543439
Preview
Coordinates | 1543439.cif |
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Original paper (by DOI) | HTML |
Formula | C47 H46 N2 O3 Pd |
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Calculated formula | C47 H46 N2 O3 Pd |
SMILES | [Pd]123c4c(Oc5c3c(C3(c6c(ccc(c6)C(C)(C)C)c6ccc(cc36)C(C)(C)C)c3[n]1cccc3)ccc5)cccc4c1[n]2cccc1.O=C(OCC)C |
Title of publication | Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs |
Authors of publication | Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 9 |
Pages of publication | 6083 |
a | 19.469 ± 0.003 Å |
b | 12.2196 ± 0.0016 Å |
c | 16.391 ± 0.002 Å |
α | 90° |
β | 102.099 ± 0.003° |
γ | 90° |
Cell volume | 3812.9 ± 0.9 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0323 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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