Information card for entry 7056777

Structure parameters

• Formula: C30 H25 Cl Cu N6 O2 S
• 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 ų
• 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