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Information card for entry 4083336
Preview
| Coordinates | 4083336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H32 Cl5 N3 Pd |
|---|---|
| Calculated formula | C28 H32 Cl5 N3 Pd |
| Title of publication | Pd‒PEPPSI-Type Expanded Ring N-Heterocyclic Carbene Complexes: Synthesis, Characterization, and Catalytic Activity in Suzuki‒Miyaura Cross Coupling |
| Authors of publication | Dunsford, Jay J.; Cavell, Kingsley J. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 11 |
| Pages of publication | 2902 |
| a | 8.239 ± 0.0003 Å |
| b | 11.7585 ± 0.0003 Å |
| c | 16.6772 ± 0.0008 Å |
| α | 89.667 ± 0.003° |
| β | 84.171 ± 0.003° |
| γ | 71.431 ± 0.003° |
| Cell volume | 1523.03 ± 0.1 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0482 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178722 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/33. |
4083336.cif |
| 119253 | 2014-07-05 | cif/ Updating files of 4083335, 4083336 Original log message: Adding full bibliography for 4083335--4083336.cif. |
4083336.cif |
| 114311 | 2014-05-23 | cif/ Adding structures of 4083335, 4083336 via cif-deposit CGI script. |
4083336.cif |
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Users of the data should acknowledge the original authors of the
structural data.