Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4517350
Preview
| Coordinates | 4517350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H17 F6 P Ru S3 |
|---|---|
| Calculated formula | C14 H17 F6 P Ru S3 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]167892345[cH]2[c]9([cH]8[c]7([cH]6[c]12SC)SC)SC.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes |
| Authors of publication | Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| a | 8.0817 ± 0.0012 Å |
| b | 9.6637 ± 0.0014 Å |
| c | 23.803 ± 0.003 Å |
| α | 90° |
| β | 99.684 ± 0.002° |
| γ | 90° |
| Cell volume | 1832.5 ± 0.4 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0264 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247217 (current) | 2020-01-25 | cif/ Adding structures of 4517350 via cif-deposit CGI script. |
4517350.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.