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Information card for entry 4068718
Preview
Coordinates | 4068718.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 Cl F6 N4 P Pd |
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Calculated formula | C19 H18 Cl F6 N4 P Pd |
SMILES | [Pd]12(=C3N(C=CN3CCCC)c3[n]1c1c(cc3)ccc3c1[n]2ccc3)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Pincer Complexes of Palladium- and Nickel-Containing 3-Butyl-1-(1,10-phenanthrolin-2-yl)imidazolylidene as Efficient Aqueous Sonogashira and Kumada Coupling Reactions |
Authors of publication | Gu, Shaojin; Chen, Wanzhi |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 3 |
Pages of publication | 909 |
a | 8.8503 ± 0.0013 Å |
b | 10.0325 ± 0.0017 Å |
c | 12.294 ± 0.002 Å |
α | 99.651 ± 0.002° |
β | 94.456 ± 0.001° |
γ | 90.443 ± 0.001° |
Cell volume | 1072.7 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.05 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections included in the refinement | 0.1125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/4068718.html
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