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Information card for entry 4084939
Preview
Coordinates | 4084939.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H74 Mg O14 P4 S2 |
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Calculated formula | C56 H74 Mg O14 P4 S2 |
SMILES | c1(ccccc1)[P@]12c3cc(ccc3P(=[O][Mg]342(OS(=O)(c2c1cc(cc2)C)=O)OS(=O)(=O)c1c(cc(cc1)C)[P@]4(c1ccccc1)c1cc(ccc1P(=[O]3)(OCC)OCC)C)(OCC)OCC)C.CCOCC.CCOCC.c1(ccccc1)[P@@]12c3cc(ccc3P(=[O][Mg]342(OS(=O)(c2c1cc(cc2)C)=O)OS(=O)(=O)c1c(cc(cc1)C)[P@@]4(c1ccccc1)c1cc(ccc1P(=[O]3)(OCC)OCC)C)(OCC)OCC)C.CCOCC.CCOCC |
Title of publication | Lewis Acid Modification and Ethylene Oligomerization Behavior of Palladium Catalysts That Contain a Phosphine-Sulfonate-Diethyl Phosphonate Ancillary Ligand |
Authors of publication | Contrella, Nathan D.; Jordan, Richard F. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 24 |
Pages of publication | 7199 |
a | 11.584 ± 0.004 Å |
b | 11.755 ± 0.004 Å |
c | 22.355 ± 0.008 Å |
α | 75.154 ± 0.006° |
β | 83.523 ± 0.007° |
γ | 85.602 ± 0.007° |
Cell volume | 2920.1 ± 1.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1683 |
Residual factor for significantly intense reflections | 0.0681 |
Weighted residual factors for significantly intense reflections | 0.1119 |
Weighted residual factors for all reflections included in the refinement | 0.132 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.775 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4084939.html
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Users of the data should acknowledge the original authors of the
structural data.