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Information card for entry 1512397
Preview
Coordinates | 1512397.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H22 N2 O3 Pd S |
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Calculated formula | C23 H22 N2 O3 Pd S |
SMILES | [Pd]12([CH]3=[CH]1C(=O)OC3=O)=C1N(C=CN1c1c(cc(cc1C)C)C)C[S]2c1ccccc1 |
Title of publication | The interaction between heteroditopic pyridine-nitrogen NHC with novel sulfur NHC ligands in palladium(0) derivatives: Synthesis and structural characterization of a bis-carbene palladium(0) olefin complex and formation in solution of an alkene-alkyne mixed intermediate as a consequence of the ligands hemilability |
Authors of publication | Luciano Canovesea; Fabiano Visentina; Carlo Levia; Claudio Santoa; Valerio Bertolasib |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2012 |
Journal volume | 390 |
Pages of publication | 105 - 118 |
a | 16.2065 ± 0.0003 Å |
b | 9.4982 ± 0.0002 Å |
c | 14.2443 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2192.66 ± 0.07 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0413 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.0677 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1512397.html
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