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Information card for entry 4349373
Preview
| Coordinates | 4349373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | CuL2(PPh3) |
|---|---|
| Formula | C42 H47 Cu N3 P |
| Calculated formula | C42 H47 Cu N3 P |
| SMILES | c1(c(C(C)C)cccc1C(C)C)N1[Cu]([N](=C(C=C1C)C)CCc1ccccn1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring. |
| Authors of publication | Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 5 |
| Pages of publication | 2722 - 2735 |
| a | 12.0159 ± 0.0006 Å |
| b | 12.7595 ± 0.0006 Å |
| c | 13.0422 ± 0.0006 Å |
| α | 94.159 ± 0.003° |
| β | 98.707 ± 0.003° |
| γ | 109.377 ± 0.003° |
| Cell volume | 1848.36 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.0711 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1141 |
| Weighted residual factors for all reflections included in the refinement | 0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349373.cif |
| 233906 | 2019-11-23 | cif/ Adding structures of 4349372, 4349373, 4349374, 4349375 via cif-deposit CGI script. |
4349373.cif |
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Users of the data should acknowledge the original authors of the
structural data.