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Information card for entry 4065180
Preview
Coordinates | 4065180.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H41 Br O P2 Pd S |
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Calculated formula | C49 H41 Br O P2 Pd S |
SMILES | [Pd](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(Sc2ccc(OC)cc2)cccc1 |
Title of publication | Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes |
Authors of publication | Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 18 |
Pages of publication | 4983 |
a | 12.8982 ± 0.0012 Å |
b | 14.8492 ± 0.0014 Å |
c | 21.869 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4188.5 ± 0.7 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0337 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0574 |
Weighted residual factors for all reflections included in the refinement | 0.06 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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