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Information card for entry 7043208
Preview
Coordinates | 7043208.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H18 Cl2 N4 O2 |
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Calculated formula | C15 H18 Cl2 N4 O2 |
SMILES | [Cl-].O.O.Clc1nc2c(nc1[n+]1ccc(N(C)C)cc1)cccc2 |
Title of publication | Synthesis of Zwitterionic Palladium Complexes and Their Application as Catalysts in Cross-Coupling Reactions of Aryl, Heteroaryl and Benzyl Bromides with Organoboron Reagents in Neat Water |
Authors of publication | Visannagari, Ramakrishna; Nareddula, Dastagiri Reddy |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 7.2346 ± 0.0004 Å |
b | 9.1795 ± 0.0005 Å |
c | 13.2726 ± 0.0008 Å |
α | 86.782 ± 0.005° |
β | 77.574 ± 0.005° |
γ | 70.405 ± 0.005° |
Cell volume | 810.81 ± 0.09 Å3 |
Cell temperature | 128 ± 17 K |
Ambient diffraction temperature | 128 ± 17 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0448 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0948 |
Weighted residual factors for all reflections included in the refinement | 0.1008 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/7043208.html
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Users of the data should acknowledge the original authors of the
structural data.