Information card for entry 2312093
| Formula |
C55 H41 Cu F6 N P3 |
| Calculated formula |
C55 H41 Cu F6 N P3 |
| SMILES |
[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2c2c3ccccc3ccc2[P]1(c1ccccc1)c1ccccc1)[n]1ccccc1c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication |
Structural, spectroscopic, luminescence sensing and TD-DFT theoretical studies of a CuP<sub>2</sub>N-type complex. |
| Authors of publication |
Zhang, Dan Qi; Song, Li; Wu, Jin Tao; Zhu, Yu Fan; Xu, Wen Ze; Lai, Jia Qi; Chai, Wen Xiang |
| Journal of publication |
Acta crystallographica. Section C, Structural chemistry |
| Year of publication |
2023 |
| Journal volume |
79 |
| Journal issue |
Pt 5 |
| Pages of publication |
186 - 192 |
| a |
11.0585 ± 0.0008 Å |
| b |
12.0918 ± 0.0008 Å |
| c |
19.5318 ± 0.0014 Å |
| α |
73.751 ± 0.002° |
| β |
74.975 ± 0.002° |
| γ |
74.263 ± 0.002° |
| Cell volume |
2365.4 ± 0.3 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0536 |
| Residual factor for significantly intense reflections |
0.0416 |
| Weighted residual factors for significantly intense reflections |
0.1019 |
| Weighted residual factors for all reflections included in the refinement |
0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2312093.html
