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Information card for entry 4122401
Preview
Coordinates | 4122401.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H30 N O3 P Pd S |
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Calculated formula | C20 H30 N O3 P Pd S |
SMILES | [Pd]1([P](c2c(S(=O)(=O)O1)cccc2)(C(C)C)C(C)C)([n]1c(C)cccc1C)C |
Title of publication | Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers. |
Authors of publication | Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 34 |
Pages of publication | 11898 |
a | 13.797 ± 0.012 Å |
b | 8.394 ± 0.007 Å |
c | 18.318 ± 0.016 Å |
α | 90° |
β | 91.825 ± 0.004° |
γ | 90° |
Cell volume | 2120 ± 3 Å3 |
Cell temperature | 103.15 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0956 |
Residual factor for significantly intense reflections | 0.0819 |
Weighted residual factors for significantly intense reflections | 0.1676 |
Weighted residual factors for all reflections included in the refinement | 0.1764 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.233 |
Diffraction radiation wavelength | 0.7107 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/4122401.html
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Users of the data should acknowledge the original authors of the
structural data.