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Information card for entry 4065186
Preview
Coordinates | 4065186.cif |
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Original paper (by DOI) | HTML |
Formula | C49 H47 Br N4 O Pd S |
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Calculated formula | C49 H47 Br N4 O Pd S |
SMILES | [Pd]1(C(=Nc2c(cccc2C)C)C(C(=[N]1c1c(cccc1C)C)c1c(Sc2ccc(OC)cc2)cccc1)=Nc1c(cccc1C)C)(Br)C#[N]c1c(cccc1C)C |
Title of publication | Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes |
Authors of publication | Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 18 |
Pages of publication | 4983 |
a | 13.2572 ± 0.0014 Å |
b | 14.1029 ± 0.0014 Å |
c | 14.1107 ± 0.0014 Å |
α | 112.513 ± 0.004° |
β | 115.224 ± 0.004° |
γ | 91.839 ± 0.004° |
Cell volume | 2143.7 ± 0.4 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0591 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0634 |
Weighted residual factors for all reflections included in the refinement | 0.0686 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
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/4065186.html
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