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Information card for entry 7021130
Preview
| Coordinates | 7021130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C61.5 H88 Cl5 N2 P Pd |
|---|---|
| Calculated formula | C61.5 H88 Cl5 N2 P Pd |
| Title of publication | Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions. |
| Authors of publication | Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 20 |
| Pages of publication | 7345 - 7353 |
| a | 12.32 ± 0.003 Å |
| b | 12.759 ± 0.002 Å |
| c | 21.547 ± 0.005 Å |
| α | 103.505 ± 0.008° |
| β | 104.578 ± 0.007° |
| γ | 93.875 ± 0.009° |
| Cell volume | 3158.4 ± 1.2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0913 |
| Residual factor for significantly intense reflections | 0.0808 |
| Weighted residual factors for significantly intense reflections | 0.2344 |
| Weighted residual factors for all reflections included in the refinement | 0.2451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7021130.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7021130.cif |
| 86040 | 2013-05-09 | cif/ Adding structures of 7021126, 7021127, 7021128, 7021129, 7021130, 7021131, 7021132, 7021133, 7021134 via cif-deposit CGI script. |
7021130.cif |
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Users of the data should acknowledge the original authors of the
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