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Information card for entry 7002694
Preview
Coordinates | 7002694.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H25 Cl N O4 P Pd |
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Calculated formula | C28 H25 Cl N O4 P Pd |
SMILES | [Pd]1(C(C(=O)OC)=C(C)C(=O)OC)(Cl)[P](c2cccc3ccc[n]1c23)(c1ccccc1)c1ccccc1 |
Title of publication | Substitution reactions between bis-chelate ligands in palladium(ii) alkenyl complexes: an unusual way to form unstable trans-P complexes. A study on the isomerization mechanism |
Authors of publication | Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Santo, Claudio; Dolmella, Alessandro |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 43 |
Pages of publication | 9475 - 9485 |
a | 9.279 ± 0.002 Å |
b | 17.499 ± 0.004 Å |
c | 16.897 ± 0.003 Å |
α | 90° |
β | 104.62 ± 0.03° |
γ | 90° |
Cell volume | 2654.8 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.06 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.115 |
Weighted residual factors for all reflections included in the refinement | 0.1244 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.317 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoK\α |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7002694.html
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