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Information card for entry 2010549
Preview
| Coordinates | 2010549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H58 Cu2 N2 O8 |
|---|---|
| Calculated formula | C36 H58 Cu2 N2 O8 |
| SMILES | [n]1(ccccc1C)[Cu]1234[O]=C(O[Cu]4([n]4ccccc4C)([O]=C(CC(C)(C)C)O2)(OC(CC(C)(C)C)=[O]1)[O]=C(O3)CC(C)(C)C)CC(C)(C)C |
| Title of publication | Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid |
| Authors of publication | Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 7 - 11 |
| a | 10.04 ± 0.002 Å |
| b | 18.468 ± 0.001 Å |
| c | 11.649 ± 0.001 Å |
| α | 90° |
| β | 109.16 ± 0.01° |
| γ | 90° |
| Cell volume | 2040.3 ± 0.4 Å3 |
| Cell temperature | 299 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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