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Information card for entry 4349374
Preview
| Coordinates | 4349374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | CuL3(PPh3) |
|---|---|
| Formula | C38 H39 Cu N3 P |
| Calculated formula | C38 H39 Cu N3 P |
| SMILES | c1(c(C)cc(C)cc1C)[N]1=C(C)C=C(C)N([Cu]1[P](c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccn1 |
| 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 | 13.1304 ± 0.0017 Å |
| b | 9.9175 ± 0.0012 Å |
| c | 25.712 ± 0.003 Å |
| α | 90° |
| β | 91.816 ± 0.002° |
| γ | 90° |
| Cell volume | 3346.6 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0473 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| 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. |
4349374.cif |
| 233906 | 2019-11-23 | cif/ Adding structures of 4349372, 4349373, 4349374, 4349375 via cif-deposit CGI script. |
4349374.cif |
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Users of the data should acknowledge the original authors of the
structural data.