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Information card for entry 4080637
Preview
Coordinates | 4080637.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H25 Cl4 N O2 Pd S |
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Calculated formula | C24 H25 Cl4 N O2 Pd S |
SMILES | [Pd]12([S](CCC[NH]2C(c2c1cccc2)c1c(O)cc(cc1)OC)c1ccccc1)Cl.ClC(Cl)Cl |
Title of publication | Palladacycles of Thioethers Catalyzing Suzuki‒Miyaura C‒C Coupling: Generation and Catalytic Activity of Nanoparticles |
Authors of publication | Rao, Gyandshwar Kumar; Kumar, Arun; Kumar, Satyendra; Dupare, Umesh B.; Singh, Ajai K. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 8 |
Pages of publication | 2452 |
a | 8.948 ± 0.002 Å |
b | 10.178 ± 0.003 Å |
c | 14.684 ± 0.004 Å |
α | 86.059 ± 0.005° |
β | 86.844 ± 0.005° |
γ | 80.961 ± 0.005° |
Cell volume | 1316.3 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1041 |
Residual factor for significantly intense reflections | 0.0792 |
Weighted residual factors for significantly intense reflections | 0.1563 |
Weighted residual factors for all reflections included in the refinement | 0.1673 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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