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Information card for entry 1564938
Preview
| Coordinates | 1564938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 B Cu F6 N4 |
|---|---|
| Calculated formula | C22 H18 B Cu F6 N4 |
| SMILES | [Cu]12([n]3n(ccc3C(F)(F)F)[B](n3[n]1c(cc3)C(F)(F)F)(c1ccccc1)c1ccccc1)[CH2]=[CH2]2 |
| Title of publication | When SF5 outplays CF3: Effects of pentafluorosulfanyl decorated scorpionates on copper |
| Authors of publication | Noonikara Poyil, Anurag; Muñoz-castro, A.; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 9.9858 ± 0.0007 Å |
| b | 10.2229 ± 0.0007 Å |
| c | 12.0676 ± 0.0008 Å |
| α | 79.949 ± 0.001° |
| β | 66.873 ± 0.001° |
| γ | 77.978 ± 0.001° |
| Cell volume | 1102.16 ± 0.13 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0265 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269972 (current) | 2021-10-16 | cif/ Adding structures of 1564937, 1564938, 1564939, 1564940 via cif-deposit CGI script. |
1564938.cif |
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Users of the data should acknowledge the original authors of the
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