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Information card for entry 7101624
Preview
Coordinates | 7101624.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H27 F3 N O5 P Pd S |
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Calculated formula | C23 H27 F3 N O5 P Pd S |
SMILES | [Pd]12([P](CC3OCC([N]1=3)(C)C)(c1ccccc1)c1ccccc1)[O]=C(CC2)C.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Structurally characterized intermediates in the stepwise insertion of CO-ethylene or CO-methyl acrylate into the metal-carbon bond of Pd(II) complexes stabilized by (phosphinomethyl)oxazoline ligands. |
Authors of publication | Agostinho, Magno; Braunstein, Pierre |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 1 |
Pages of publication | 58 - 60 |
a | 11.474 ± 0.0005 Å |
b | 13.903 ± 0.0007 Å |
c | 18.081 ± 0.001 Å |
α | 92.486 ± 0.0015° |
β | 96.765 ± 0.0015° |
γ | 112.951 ± 0.003° |
Cell volume | 2624.9 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1399 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.184 |
Weighted residual factors for all reflections included in the refinement | 0.2146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/7101624.html
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