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Information card for entry 4071198
Preview
Coordinates | 4071198.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H30 I O2 P Pd S |
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Calculated formula | C34 H30 I O2 P Pd S |
SMILES | [Pd]12(I)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[CH](=[C]1(C2S(=O)(=O)c1ccccc1)c1ccccc1)C |
Title of publication | Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2and PdI(Ph)(dppe) |
Authors of publication | Bai, Tao; Xue, Liqin; Xue, Peng; Zhu, Jun; Sung, Herman Ho-Yung; Ma, Shengming; Wiliams, Ian Duncan; Lin, Zhenyang; Jia, Guochen |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 11 |
Pages of publication | 2614 |
a | 15.5188 ± 0.0011 Å |
b | 17.4313 ± 0.0013 Å |
c | 23.4898 ± 0.0016 Å |
α | 90° |
β | 91.454 ± 0.002° |
γ | 90° |
Cell volume | 6352.2 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1138 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/4071198.html
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