Information card for entry 7049478
| Formula |
C19 H14 Cl0.31 Cu1.31 N2 O5 |
| Calculated formula |
C19 H14 Cl0.309 Cu1.309 N2 O5 |
| Title of publication |
An NHC-CuCl functionalized metal-organic framework for catalyzing β-boration of α,β-unsaturated carbonyl compounds |
| Authors of publication |
Yao, Qingxia; Lu, Xiufang; Liu, Kaili; Ma, Chao; Su, Jie; Lin, Cong; Li, DaCheng; Dou, Jianmin; Sun, Junliang; Duan, Wen-zeng |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2019 |
| a |
13.2144 ± 0.0015 Å |
| b |
22.3311 ± 0.0011 Å |
| c |
23.9725 ± 0.0012 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
7074.1 ± 0.9 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
60 |
| Hermann-Mauguin space group symbol |
P c a n |
| Hall space group symbol |
-P2n2c |
| Residual factor for all reflections |
0.0882 |
| Residual factor for significantly intense reflections |
0.0587 |
| Weighted residual factors for significantly intense reflections |
0.1754 |
| Weighted residual factors for all reflections included in the refinement |
0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.986 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7049478.html
