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Information card for entry 4518926
Preview
| Coordinates | 4518926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H36 B2 O4 |
|---|---|
| Calculated formula | C20 H36 B2 O4 |
| Title of publication | Pincer Iron Hydride Complexes for Alkene Isomerization: Catalytic Approach to Trisubstituted (Z)-Alkenyl Boronates |
| Authors of publication | Xu, Songgen; Geng, Peiyu; Li, Yuling; Liu, Guixia; Zhang, Lei; Guo, Yinlong; Huang, Zheng |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 10138 - 10147 |
| a | 19.7295 ± 0.0014 Å |
| b | 6.1575 ± 0.0004 Å |
| c | 19.7303 ± 0.0014 Å |
| α | 90° |
| β | 115.521 ± 0.003° |
| γ | 90° |
| Cell volume | 2163 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170.15 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0837 |
| Residual factor for significantly intense reflections | 0.0808 |
| Weighted residual factors for significantly intense reflections | 0.2279 |
| Weighted residual factors for all reflections included in the refinement | 0.2331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267870 (current) | 2021-08-01 | cif/ Adding structures of 4518926 via cif-deposit CGI script. |
4518926.cif |
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