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Information card for entry 1549287
Preview
| Coordinates | 1549287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C93 H100 B2 Co F27 N8 O4 S |
|---|---|
| Calculated formula | C93 H100 B2 Co F27 N8 O4 S |
| SMILES | [Co]1(OS(=O)(=O)C(F)(F)F)([n]2n(c(cc2C23CC4CC(C2)CC(C3)C4)C)[BH](n2[n]1c(cc2C)C12CC3CC(C2)CC(C1)C3)n1[nH+]c(cc1C)C12CC3CC(C2)CC(C1)C3)[n]1[nH]c(cc1C)C12CC3CC(C1)CC(C2)C3.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)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.O(CC)CC |
| Title of publication | Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. |
| Authors of publication | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 19 |
| Pages of publication | 4493 - 4499 |
| a | 21.493 ± 0.0017 Å |
| b | 22.3378 ± 0.0019 Å |
| c | 38.715 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18587 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1568 |
| Residual factor for significantly intense reflections | 0.1073 |
| Weighted residual factors for significantly intense reflections | 0.2609 |
| Weighted residual factors for all reflections included in the refinement | 0.2964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228744 (current) | 2019-11-17 | cif/ Updating files of 1549282, 1549283, 1549284, 1549285, 1549286, 1549287 Original log message: Adding full bibliography for 1549282--1549287.cif. |
1549287.cif |
| 207437 | 2018-04-23 | cif/ Adding structures of 1549282, 1549283, 1549284, 1549285, 1549286, 1549287 via cif-deposit CGI script. |
1549287.cif |
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Users of the data should acknowledge the original authors of the
structural data.