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Information card for entry 1556625
Preview
Coordinates | 1556625.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H20 Cu N2 O5 S |
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Calculated formula | C20 H20 Cu N2 O5 S |
SMILES | c12ccccc1[N]1[Cu]([n]3ccccc3)(Oc3c(C=1)cccc3)(OS2(=O)=O)[OH]CC |
Title of publication | Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes |
Authors of publication | Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L. |
Journal of publication | Inorganics |
Year of publication | 2019 |
Journal volume | 7 |
Pages of publication | 17 |
a | 9.5036 ± 0.0004 Å |
b | 18.3619 ± 0.0008 Å |
c | 11.339 ± 0.0005 Å |
α | 90° |
β | 91.883 ± 0.002° |
γ | 90° |
Cell volume | 1977.63 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 all reflections | 0.0594 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0759 |
Weighted residual factors for all reflections included in the refinement | 0.0838 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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