Information card for entry 2020878

Structure parameters

• Chemical name: <i>cis</i>-Dichloridobis(1,2,5-thiadiazolo[3,4-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^1^,<i>N</i>^10^)copper(II)
• Formula: C24 H12 Cl2 Cu N8 S2
• Calculated formula: C24 H12 Cl2 Cu N8 S2
• SMILES: [Cu]12(Cl)(Cl)([n]3cccc4c3c3[n]1cccc3c1nsnc41)[n]1cccc3c1c1[n]2cccc1c1nsnc31
• Title of publication: Synthesis, crystal structure and biological properties of a <i>cis</i>-dichloridobis(diimine)copper(II) complex
• Authors of publication: Bhat, Satish S.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore; Kawade, Vitthal A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 8.181 ± 0.004 Å
• b: 12.168 ± 0.005 Å
• c: 22.99 ± 0.01 Å
• α: 90°
• β: 92.197 ± 0.007°
• γ: 90°
• Cell volume: 2286.9 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes