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Information card for entry 7701214
Preview
| Coordinates | 7701214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tris-(3-chloropyridyl)(methyl(cyclotriguaiacylenyl)methylbenzimidazol-2-ylidene)palladium(II) iodide pentane dichloromethane clathrate |
|---|---|
| Formula | C76.5 H90 Cl4 I6 N9 O8.5 Pd3 |
| Calculated formula | C76.5 H83 Cl4 I6 N9 O8.5 Pd3 |
| 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 | 15.6946 ± 0.0006 Å |
| b | 15.8484 ± 0.0008 Å |
| c | 21.611 ± 0.001 Å |
| α | 104.839 ± 0.004° |
| β | 111.072 ± 0.004° |
| γ | 98.298 ± 0.003° |
| Cell volume | 4679.2 ± 0.4 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0707 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.138 |
| Weighted residual factors for all reflections included in the refinement | 0.1505 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
7701214.cif |
| 218653 | 2019-09-21 | cif/ Adding structures of 7701214, 7701215, 7701216, 7701217, 7701218, 7701219 via cif-deposit CGI script. |
7701214.cif |
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Users of the data should acknowledge the original authors of the
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