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Information card for entry 4064654
Preview
Coordinates | 4064654.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H24 N5 O2 P Pd |
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Calculated formula | C26 H24 N5 O2 P Pd |
SMILES | [Pd]1(c2ccccc2C=[N]1c1ccccc1)([P](CCC#N)(CCC#N)CCC#N)N1C(=O)C=CC1=O |
Title of publication | Synthesis and Characterization of Imine-Palladacycles Containing Imidate “Pseudohalide” Ligands: Efficient Suzuki‒Miyaura Cross-Coupling Precatalysts and Their Activation To Give Pd0LnSpecies (L = Phosphine) |
Authors of publication | Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; García, Joaquín; Sánchez, Gregorio; Sehnal, Petr; De Ornellas, Sara; Williams, Thomas J.; Fairlamb, Ian J. S. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 19 |
Pages of publication | 5095 |
a | 8.422 ± 0.0003 Å |
b | 11.5619 ± 0.0004 Å |
c | 14.6611 ± 0.0005 Å |
α | 69.331 ± 0.001° |
β | 74.073 ± 0.001° |
γ | 85.303 ± 0.001° |
Cell volume | 1284.27 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0754 |
Weighted residual factors for all reflections included in the refinement | 0.0774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4064654.html
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