Information card for entry 7059799
| Formula |
C48 H44 Cl Cu N2 O7 P2 |
| Calculated formula |
C48 H44 Cl Cu N2 O7 P2 |
| SMILES |
[Cu]1([n]2c(c3[n]1c(O)ccc3)cccc2O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.OCC |
| Title of publication |
Luminescent phosphine copper(i) complexes with various functionalized bipyridine ligands: synthesis, structures, photophysics and computational study |
| Authors of publication |
Jin, Xin-Xin; Li, Tian; Shi, Dong-Po; Luo, Li-Juan; Su, Qian-Qian; Xiang, Jing; Xu, Hai-Bing; Leung, Chi-Fai; Zeng, Ming-Hua |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2020 |
| Journal volume |
44 |
| Journal issue |
31 |
| Pages of publication |
13393 - 13400 |
| a |
11.0935 ± 0.0009 Å |
| b |
12.6712 ± 0.0012 Å |
| c |
16.926 ± 0.0012 Å |
| α |
90.048 ± 0.007° |
| β |
101.514 ± 0.006° |
| γ |
100.446 ± 0.007° |
| Cell volume |
2291 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 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 |
0.1273 |
| Residual factor for significantly intense reflections |
0.0686 |
| Weighted residual factors for significantly intense reflections |
0.1477 |
| Weighted residual factors for all reflections included in the refinement |
0.1836 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.992 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7059799.html
