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Information card for entry 7056777
Preview
Coordinates | 7056777.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H25 Cl Cu N6 O2 S |
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Calculated formula | C30 H25 Cl Cu N6 O2 S |
SMILES | S(=O)(=O)(N1[Cu]2(Cl)([n]3c4ccccc4ccc3c3[n]2c2c(cc3)cccc2)[n]2c1nc(C)cc2C)c1ccc(N)cc1 |
Title of publication | Crystal structure, Hirshfeld surface analysis, spectroscopic and biological studies on sulfamethazine and sulfaquinoxaline ternary complexes with 2,2′-biquinoline |
Authors of publication | Villa-Pérez, C.; Cadavid-Vargas, J. F.; Di Virgilio, A. L.; Echeverría, G. A.; Camí, G. E.; Soria, D. B. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 2 |
Pages of publication | 891 |
a | 10.0254 ± 0.0007 Å |
b | 16.5255 ± 0.001 Å |
c | 17.0838 ± 0.0008 Å |
α | 90° |
β | 95.697 ± 0.006° |
γ | 90° |
Cell volume | 2816.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1051 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for significantly intense reflections | 0.1612 |
Weighted residual factors for all reflections included in the refinement | 0.1912 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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