Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7712937
Preview
| Coordinates | 7712937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H30 Fe O4 S2 |
|---|---|
| Calculated formula | C20 H30 Fe O4 S2 |
| Title of publication | From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives. |
| Authors of publication | Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 52 |
| Journal issue | 12 |
| Pages of publication | 3725 - 3737 |
| a | 9.7712 ± 0.0005 Å |
| b | 9.7712 Å |
| c | 22.4446 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2142.93 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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 |
|---|---|---|---|
| 282981 (current) | 2023-05-04 | cif/ Adding structures of 7712936, 7712937, 7712938, 7712939, 7712940, 7712941, 7712942, 7712943 via cif-deposit CGI script. |
7712937.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.