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Information card for entry 4069450
Preview
Coordinates | 4069450.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H37 Cl4 N2 P Pd |
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Calculated formula | C41 H37 Cl4 N2 P Pd |
SMILES | c12ccccc1C(=[N](c1c(cc(cc1C)C)C)[Pd]([N]2=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1.C(Cl)Cl |
Title of publication | Reversible Orthopalladation of Phosphinimine−Imine Dichloropalladium(II) Complexes |
Authors of publication | Wallis, Christopher J.; Kraft, Ira L.; Murphy, Jeffrey N.; Patrick, Brian O.; Mehrkhodavandi, Parisa |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 13 |
Pages of publication | 3889 |
a | 11.759 ± 0.002 Å |
b | 15.851 ± 0.003 Å |
c | 20.681 ± 0.004 Å |
α | 90° |
β | 96.749 ± 0.007° |
γ | 90° |
Cell volume | 3828.1 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0348 |
Residual factor for significantly intense reflections | 0.0261 |
Weighted residual factors for significantly intense reflections | 0.062 |
Weighted residual factors for all reflections included in the refinement | 0.0664 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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