Information card for entry 7056776

Structure parameters

• Formula: C33 H27 Cl Cu N6 O3 S
• Calculated formula: C33 H27 Cl Cu N6 O3 S
• SMILES: OC.[Cu]12(Cl)([n]3c4c(ncc3N2S(=O)(=O)c2ccc(N)cc2)cccc4)[n]2c(c3[n]1c1c(cc3)cccc1)ccc1c2cccc1
• 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: 10.0919 ± 0.0009 Å
• b: 10.1848 ± 0.0006 Å
• c: 17.0127 ± 0.0011 Å
• α: 81.383 ± 0.005°
• β: 75.712 ± 0.007°
• γ: 63.935 ± 0.007°
• Cell volume: 1520.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No