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Information card for entry 1558975
Preview
| Coordinates | 1558975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H55 Cl8 O2.3 Os P3 |
|---|---|
| Calculated formula | C64 H55 Cl8 O2.3 Os P3 |
| Title of publication | Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity |
| Authors of publication | Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 12.5033 ± 0.0006 Å |
| b | 14.0801 ± 0.0005 Å |
| c | 18.7137 ± 0.0008 Å |
| α | 80.333 ± 0.003° |
| β | 80.005 ± 0.004° |
| γ | 72.223 ± 0.004° |
| Cell volume | 3066.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0609 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0411 |
| Weighted residual factors for all reflections included in the refinement | 0.0434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.757 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255886 (current) | 2020-09-04 | cif/ Adding structures of 1558975, 1558976, 1558977, 1558978, 1558979, 1558980 via cif-deposit CGI script. |
1558975.cif |
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Users of the data should acknowledge the original authors of the
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