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Information card for entry 4081008
Preview
Coordinates | 4081008.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H22 Br2 N4 O Pd |
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Calculated formula | C18 H22 Br2 N4 O Pd |
SMILES | [Pd](Br)(Br)([n]1ccccc1)=C1N(c2ccccc2N1CC(=O)N)CCCC |
Title of publication | Efficient PEPPSI-Themed Palladium N-Heterocyclic Carbene Precatalysts for the Mizoroki‒Heck Reaction |
Authors of publication | Lin, Yong-Chieh; Hsueh, Hsin-Hsueh; Kanne, Shanker; Chang, Li-Kuang; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsiang; Peng, Shie-Ming |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 14 |
Pages of publication | 3859 |
a | 7.5314 ± 0.0002 Å |
b | 9.0723 ± 0.0003 Å |
c | 15.2464 ± 0.0004 Å |
α | 89.8955 ± 0.0011° |
β | 83.8681 ± 0.0011° |
γ | 81.9608 ± 0.001° |
Cell volume | 1025.51 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0479 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0821 |
Weighted residual factors for all reflections included in the refinement | 0.0963 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/4081008.html
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