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Information card for entry 7708619
Preview
| Coordinates | 7708619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 F2 Fe N O2 S |
|---|---|
| Calculated formula | C21 H15 F2 Fe N O2 S |
| 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 | 13.8079 ± 0.0007 Å |
| b | 13.8079 Å |
| c | 36.167 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6895.5 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| 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 |
|---|---|---|---|
| 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. |
7708619.cif |
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Users of the data should acknowledge the original authors of the
structural data.