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Information card for entry 7223931
Preview
| Coordinates | 7223931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H62 N2 O2 Zr |
|---|---|
| Calculated formula | C47 H62 N2 O2 Zr |
| Title of publication | Intramolecular hydroamination reactions catalyzed by zirconium complexes bearing bridged bis(phenolato) ligands |
| Authors of publication | Zhang, Yu; Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 11.48 ± 0.002 Å |
| b | 14.798 ± 0.003 Å |
| c | 25.295 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4297.1 ± 1.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174569 (current) | 2016-01-19 | cif/ Adding structures of 7223930, 7223931 via cif-deposit CGI script. |
7223931.cif |
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Users of the data should acknowledge the original authors of the
structural data.