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Information card for entry 7001079
Preview
Coordinates | 7001079.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H24 N10 O2 Pd |
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Calculated formula | C24 H24 N10 O2 Pd |
SMILES | [NH]1=C(c2cnccc2)N=C(N[Pd]21NC(=NC(=[NH]2)c1cccnc1)c1cccnc1)c1cccnc1.O.O |
Title of publication | Single-pot template transformations of cyanopyridines on a PdII centre: syntheses of ketoimine and 2,4-dipyridyl-1,3,5-triazapentadiene palladium(II) complexes and their catalytic activity for microwave-assisted Suzuki‒Miyaura and Heck reactions |
Authors of publication | Kopylovich, Maximilian N.; Lasri, Jamal; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 16 |
Pages of publication | 3074 - 3084 |
a | 7.77 ± 0.002 Å |
b | 8.635 ± 0.003 Å |
c | 9.736 ± 0.003 Å |
α | 73.758 ± 0.015° |
β | 72.058 ± 0.014° |
γ | 88.654 ± 0.016° |
Cell volume | 595.3 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0241 |
Residual factor for significantly intense reflections | 0.0232 |
Weighted residual factors for significantly intense reflections | 0.0575 |
Weighted residual factors for all reflections included in the refinement | 0.058 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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