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Information card for entry 7047829
Preview
| Coordinates | 7047829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H21 Cu N3 O3 |
|---|---|
| Calculated formula | C17 H21 Cu N3 O3 |
| SMILES | O([Cu]12([N](CC(=O)N1c1c3[n]2cccc3ccc1)(CC)CC)[O]=C1N2[Cu](OC(=O)C)([N](C1)(CC)CC)[n]1cccc3cccc2c13)C(=O)C |
| Title of publication | Synthesis of quinolinyl-based pincer copper(ii) complexes: an efficient catalyst system for Kumada coupling of alkyl chlorides and bromides with alkyl Grignard reagents. |
| Authors of publication | Pandiri, Hanumanprasad; Gonnade, Rajesh G.; Punji, Benudhar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 46 |
| Pages of publication | 16747 - 16754 |
| a | 13.75 ± 0.003 Å |
| b | 7.8669 ± 0.0017 Å |
| c | 16.223 ± 0.004 Å |
| α | 90° |
| β | 98.271 ± 0.01° |
| γ | 90° |
| Cell volume | 1736.6 ± 0.7 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7047829.cif |
| 229651 | 2019-11-17 | cif/ Updating files of 7047827, 7047828, 7047829, 7047830 Original log message: Adding full bibliography for 7047827--7047830.cif. |
7047829.cif |
| 211555 | 2018-10-20 | cif/ Adding structures of 7047827, 7047828, 7047829, 7047830 via cif-deposit CGI script. |
7047829.cif |
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Users of the data should acknowledge the original authors of the
structural data.