Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708620
Preview
| Coordinates | 7708620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 F2 Fe O2 S |
|---|---|
| Calculated formula | C10 H8 F2 Fe 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 | 6.8825 ± 0.0007 Å |
| b | 11.9649 ± 0.0014 Å |
| c | 12.3895 ± 0.0012 Å |
| α | 90° |
| β | 90.433 ± 0.004° |
| γ | 90° |
| Cell volume | 1020.23 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0374 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
7708620.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.