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Information card for entry 7053864
Preview
Coordinates | 7053864.cif |
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Original paper (by DOI) | HTML |
Chemical name | bis(mu2-(2-hydroxyethylamino ethanolato)-bis(p-methoxybenzoate)-di copper(II)dihydrate |
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Formula | C28 H46 Cu2 N2 O14 |
Calculated formula | C28 H46 Cu2 N2 O14 |
SMILES | C1C[O]2[Cu]3([N]1(CCO)CC[OH]3)(OC(=O)c1ccc(OC)cc1)[O]1CC[N]3(CCO)CC[OH][Cu]213OC(=O)c1ccc(OC)cc1.O.O |
Title of publication | Magnetic behaviour vs. structural changes in an isomeric series of binuclear copper(ii) complexes: an experimental and theoretical study |
Authors of publication | Sharma, Raj Pal; Saini, Anju; Venugopalan, Paloth; Ferretti, Valeria; Spizzo, Federico; Angeli, Celestino; Calzado, Carmen J. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 2 |
Pages of publication | 574 |
a | 7.6094 ± 0.0001 Å |
b | 8.0937 ± 0.0002 Å |
c | 14.6853 ± 0.0004 Å |
α | 102.858 ± 0.0008° |
β | 92.338 ± 0.0008° |
γ | 110.54 ± 0.0013° |
Cell volume | 818.68 ± 0.03 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 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 | 0.0392 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.0907 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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