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Information card for entry 1556627
Preview
Coordinates | 1556627.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H30 Cu2 N4 O10 S2 |
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Calculated formula | C32 H30 Cu2 N4 O10 S2 |
SMILES | c12c([N]3=Cc4ccccc4O[Cu]3([n]3cc[n](cc3)[Cu]34([N](c5c(cccc5)S(=O)(=O)O4)=Cc4ccccc4O3)[OH]C)([OH]C)OS1(=O)=O)cccc2 |
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 | 7.4426 ± 0.0004 Å |
b | 10.2904 ± 0.0006 Å |
c | 11.4557 ± 0.0007 Å |
α | 75.615 ± 0.002° |
β | 71.959 ± 0.003° |
γ | 85.198 ± 0.002° |
Cell volume | 808.05 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0371 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0932 |
Weighted residual factors for all reflections included in the refinement | 0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1556627.html
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