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Information card for entry 4074221
Preview
Coordinates | 4074221.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H31 N3 O10 Pd S |
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Calculated formula | C29 H31 N3 O10 Pd S |
SMILES | [Pd]12([n]3ccccc3CN(S(=O)(=O)c3ccc(cc3)C)Cc3[n]1cccc3)[C](=[C]2(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC |
Title of publication | Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study |
Authors of publication | Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 22 |
Pages of publication | 5355 |
a | 8.385 ± 0.002 Å |
b | 17.032 ± 0.003 Å |
c | 22.164 ± 0.004 Å |
α | 90° |
β | 100.72 ± 0.03° |
γ | 90° |
Cell volume | 3110.1 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0477 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1079 |
Weighted residual factors for all reflections included in the refinement | 0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.388 |
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/4074221.html
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