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Information card for entry 7708621
Preview
| Coordinates | 7708621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 F Fe I N O2 S |
|---|---|
| Calculated formula | C15 H11 F Fe I N O2 S |
| SMILES | [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1(I)[cH]5[cH]6[c]7([c]81S(=O)(=O)F)c1cccnc1 |
| Title of publication | The chemistry of ferrocenesulfonyl fluoride revealed |
| Authors of publication | Erb, William; Roisnel, Thierry |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 15.0556 ± 0.0016 Å |
| b | 6.8264 ± 0.0007 Å |
| c | 15.1425 ± 0.0014 Å |
| α | 90° |
| β | 92.999 ± 0.004° |
| γ | 90° |
| Cell volume | 1554.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270122 (current) | 2021-10-29 | cif/ Adding structures of 7708618, 7708619, 7708620, 7708621, 7708622, 7708623, 7708624, 7708625, 7708626, 7708627, 7708628 via cif-deposit CGI script. |
7708621.cif |
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Users of the data should acknowledge the original authors of the
structural data.