Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7130269
Preview
| Coordinates | 7130269.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H10 Cl F6 P Ru |
|---|---|
| Calculated formula | C11 H10 Cl F6 P Ru |
| SMILES | [Ru]123456789([c]%10([cH]1[cH]2[cH]3[cH]4[cH]5%10)Cl)[cH]1[cH]9[cH]8[cH]7[cH]61.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates |
| Authors of publication | Williams, Luke J.; Bhonoah, Yunas; Walton, James W. |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 9.0165 ± 0.0004 Å |
| b | 13.3485 ± 0.0006 Å |
| c | 10.9347 ± 0.0005 Å |
| α | 90° |
| β | 91.0311 ± 0.0018° |
| γ | 90° |
| Cell volume | 1315.85 ± 0.1 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0189 |
| Weighted residual factors for significantly intense reflections | 0.0398 |
| Weighted residual factors for all reflections included in the refinement | 0.0417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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 |
|---|---|---|---|
| 276195 (current) | 2022-06-24 | cif/ Adding structures of 7130268, 7130269, 7130270, 7130271, 7130272, 7130273, 7130274 via cif-deposit CGI script. |
7130269.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.