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Information card for entry 1565728
Preview
Coordinates | 1565728.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H23 I2 N3 Pd |
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Calculated formula | C22 H23 I2 N3 Pd |
SMILES | [Pd](I)(I)([n]1ccccc1)c1n2c([n+](c1c1ccc(cc1)C)CC)cc(cc2)C |
Title of publication | A comparison between (a/n-NHC)PdX2(pyridine) and (a/n-NHC)2PdX2 (X = I, Cl) type complexes of abnormal fused-bicyclic imidazo[1,2-a]pyridine based N-heterocyclic carbene (a-NHC) and of normal imidazole based N-heterocyclic carbene (n-NHC) ligands in the Suzuki-Miyaura coupling reactions |
Authors of publication | Modak, Sudipta; Borah, Suchibrata; Prakasham, A.P.; Shaikh, Mobin M.; Butcher, Raymond J.; Gangwar, Manoj; Ghosh, Prasenjit |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2019 |
Journal volume | 498 |
Pages of publication | 119090 |
a | 11.4502 ± 0.0003 Å |
b | 9.3869 ± 0.0002 Å |
c | 21.4088 ± 0.0004 Å |
α | 90° |
β | 92.606 ± 0.002° |
γ | 90° |
Cell volume | 2298.68 ± 0.09 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0692 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.802 |
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/1565728.html
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