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Information card for entry 2007026
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Coordinates | 2007026.cif |
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Original IUCr paper | HTML |
Chemical name | trans-bis(pyridine)bis(4-chlorophenoxyisobutyrato-O,O')copper(II) |
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Formula | C30 H30 Cl2 Cu N2 O6 |
Calculated formula | C30 H30 Cl2 Cu N2 O6 |
SMILES | C(=[O]1)(C(C)(Oc2ccc(cc2)Cl)C)O[Cu]12([n]1ccccc1)([n]1ccccc1)OC(=[O]2)C(C)(Oc1ccc(cc1)Cl)C |
Title of publication | A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine |
Authors of publication | Kani, Yoshiyuki; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 2 |
Pages of publication | 193 - 195 |
a | 6.728 ± 0.002 Å |
b | 16.958 ± 0.001 Å |
c | 13.388 ± 0.002 Å |
α | 90° |
β | 101.38 ± 0.02° |
γ | 90° |
Cell volume | 1497.5 ± 0.5 Å3 |
Cell temperature | 299 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.048 |
Goodness-of-fit parameter for significantly intense reflections | 1.34 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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