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Information card for entry 7044140
Preview
Coordinates | 7044140.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H44 Cl6 N8 Pd3 S2 |
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Calculated formula | C40 H44 Cl6 N8 Pd3 S2 |
SMILES | N#CC.c12ccccc1N(C(N2CC[S]([Pd](Cl)([S](c1ccccc1)CCN1C(N(c2c1cccc2)C)=[Pd]([N]#CC)(Cl)Cl)Cl)c1ccccc1)=[Pd]([N]#CC)(Cl)Cl)C.N#CC |
Title of publication | Trinuclear complexes of palladium(II) with chalcogenated N-heterocyclic carbenes: catalysis of selective nitrile-primary amide interconversion and Sonogashira coupling |
Authors of publication | Singh, Ajai kumar; Dubey, Pooja; Gupta, Sonu |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 11.797 ± 0.003 Å |
b | 10.941 ± 0.003 Å |
c | 19.404 ± 0.006 Å |
α | 90° |
β | 97.804 ± 0.006° |
γ | 90° |
Cell volume | 2481.3 ± 1.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0978 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for significantly intense reflections | 0.1383 |
Weighted residual factors for all reflections included in the refinement | 0.1523 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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