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Information card for entry 4105149
Preview
Coordinates | 4105149.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H40 Cl6 N O3 P Pd S |
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Calculated formula | C28 H40 Cl6 N O3 P Pd S |
SMILES | [Pd]1(C)([P](c2c(cccc2)S(=O)(=O)O1)(C1CCCCC1)C1CCCCC1)[n]1c(cccc1C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Copolymerization of Vinyl Acetate with Ethylene by Palladium/Alkylphosphine-Sulfonate Catalysts |
Authors of publication | Shingo Ito; Kagehiro Munakata; Akifumi Nakamura; Kyoko Nozaki |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 14606 - 14607 |
a | 13.59 ± 0.003 Å |
b | 16.051 ± 0.004 Å |
c | 16.89 ± 0.004 Å |
α | 90° |
β | 111.273 ± 0.0011° |
γ | 90° |
Cell volume | 3433.2 ± 1.4 Å3 |
Cell temperature | 103.15 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0335 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.0721 |
Weighted residual factors for all reflections included in the refinement | 0.0737 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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