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Information card for entry 1549887
Preview
| Coordinates | 1549887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H58 B Br Co F24 P4 |
|---|---|
| Calculated formula | C75 H58 B Br Co F24 P4 |
| SMILES | Br[Co]12([P](c3ccccc3)(c3c(C1([P+](C)(C)C)c1ccccc1[P]2(c1ccccc1)c1ccccc1)cccc3)c1ccccc1)[P](C)(C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(C(F)(F)F)cc(c1)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| Title of publication | Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). |
| Authors of publication | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 43 |
| Pages of publication | 8234 - 8241 |
| a | 13.2806 ± 0.0016 Å |
| b | 27.575 ± 0.003 Å |
| c | 20.326 ± 0.002 Å |
| α | 90° |
| β | 99.632 ± 0.005° |
| γ | 90° |
| Cell volume | 7338.7 ± 1.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1111 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections | 0.1324 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0304 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228685 (current) | 2019-11-17 | cif/ Updating files of 1549887, 1549888, 1549889, 1549890, 1549891, 1549892, 1549893, 1549894, 1549895, 1549896, 1549897 Original log message: Adding full bibliography for 1549887--1549897.cif. |
1549887.cif |
| 210506 | 2018-09-07 | cif/ Adding structures of 1549887, 1549888, 1549889, 1549890, 1549891, 1549892, 1549893, 1549894, 1549895, 1549896, 1549897 via cif-deposit CGI script. |
1549887.cif |
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Users of the data should acknowledge the original authors of the
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