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Information card for entry 4082923
Preview
Coordinates | 4082923.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H34 Br2 N4 O3 Pd S |
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Calculated formula | C28 H34 Br2 N4 O3 Pd S |
SMILES | [Pd](Br)(Br)([N]#CC)=C1N(c2ccccc2N1Cc1ccccc1CS(=O)(=O)[O-])Cc1ccccc1.[N+](C)(C)(C)C |
Title of publication | Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki‒Heck Reactions |
Authors of publication | Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 7 |
Pages of publication | 1794 |
a | 7.529 ± 0.003 Å |
b | 10.949 ± 0.005 Å |
c | 36.97 ± 0.015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3048 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0405 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0817 |
Weighted residual factors for all reflections included in the refinement | 0.0835 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 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/4082923.html
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