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Information card for entry 4308505
Preview
| Coordinates | 4308505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H37 Cl2 Cu N5 O4 |
|---|---|
| Calculated formula | C26 H37 Cl2 Cu N5 O4 |
| SMILES | [Cu]123(Cl)[N]4(CCCCC4)Cc4[n]1c(ccc4)CCc1[n]2c(ccc1)C[N]13CCCCC1.Cl(=O)(=O)(=O)[O-].N#CC |
| Title of publication | Copper(II) Complexes of a Series of Polypyridine Ligands Possessing a 1,2-Bis(2-pyridyl)ethane Common Moiety: Incorporation and Hydrolysis of Phosphate Esters |
| Authors of publication | Motoharu Itoh; Jun Nakazawa; Kunihiro Maeda; Koji Kano; Tadashi Mizutani; Masahito Kodera |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 691 - 702 |
| a | 12.043 ± 0.002 Å |
| b | 14.211 ± 0.002 Å |
| c | 16.888 ± 0.003 Å |
| α | 90° |
| β | 101.515 ± 0.003° |
| γ | 90° |
| Cell volume | 2832.1 ± 0.8 Å3 |
| Cell temperature | 223.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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