Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7701218
Preview
| Coordinates | 7701218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tris-(3-chloropyridyl)(methyl(cyclotriguaiacylenyl)methylbenzimidazol-2-ylidene)palladium(II) iodide dioxane clathrate |
|---|---|
| Formula | C154 H162 Cl6 I12 N18 O23 Pd6 |
| Calculated formula | C154 H162 Cl6 I12 N18 O23 Pd6 |
| Title of publication | Cyclotriveratrylene-tethered trinuclear palladium(ii)-NHC complexes; reversal of site selectivity in Suzuki-Miyaura reactions. |
| Authors of publication | Fowler, Jonathan M.; Britton, Edward; Pask, Christopher M.; Willans, Charlotte E.; Hardie, Michaele J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 39 |
| Pages of publication | 14687 - 14695 |
| a | 18.4409 ± 0.0005 Å |
| b | 21.9443 ± 0.0008 Å |
| c | 23.7505 ± 0.0008 Å |
| α | 99.36 ± 0.003° |
| β | 97.234 ± 0.003° |
| γ | 103.156 ± 0.003° |
| Cell volume | 9100.6 ± 0.5 Å3 |
| Cell temperature | 120.1 ± 0.4 K |
| Ambient diffraction temperature | 120.1 ± 0.4 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1618 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.1836 |
| Weighted residual factors for all reflections included in the refinement | 0.233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 224053 (current) | 2019-11-07 | cif/ Updating files of 7701214, 7701215, 7701216, 7701217, 7701218, 7701219 Original log message: Adding full bibliography for 7701214--7701219.cif. |
7701218.cif |
| 218653 | 2019-09-21 | cif/ Adding structures of 7701214, 7701215, 7701216, 7701217, 7701218, 7701219 via cif-deposit CGI script. |
7701218.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.