Information card for entry 1554447
| Formula |
C92 H120 N6 O3 P4 Rh2 |
| Calculated formula |
C92 H120 N6 O3 P4 Rh2 |
| Title of publication |
Selective carbonylation of benzene to benzaldehyde using a phosphorus‒nitrogen PN3P‒rhodium(i) complex |
| Authors of publication |
Zhou, Chunhui; Hu, Jinsong; Wang, Yuan; Yao, Changguang; Chakraborty, Priyanka; Li, Huaifeng; Guan, Chao; Huang, Mei-Hui; Huang, Kuo-Wei |
| Journal of publication |
Organic Chemistry Frontiers |
| Year of publication |
2019 |
| Journal volume |
6 |
| Journal issue |
6 |
| Pages of publication |
721 |
| a |
29.2408 ± 0.0009 Å |
| b |
13.8295 ± 0.0004 Å |
| c |
25.4214 ± 0.0007 Å |
| α |
90° |
| β |
120.925 ± 0.001° |
| γ |
90° |
| Cell volume |
8818.6 ± 0.5 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
6 |
| 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 |
0.0288 |
| Residual factor for significantly intense reflections |
0.0276 |
| Weighted residual factors for significantly intense reflections |
0.0752 |
| Weighted residual factors for all reflections included in the refinement |
0.0763 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.015 |
| 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/1554447.html
