Information card for entry 7063248

Structure parameters

• Formula: C22.5 H32 Cl0.5 Cu2 N6 O4.25 S2
• Calculated formula: C22.5 H30.5 Cl0.5 Cu2 N6 O4.25 S2
• Title of publication: Synthesis, structure and biological properties of a series of dicopper(bis-thiosemicarbazone) complexes
• Authors of publication: Cebotari, Diana; Calancea, Sergiu; Garbuz, Olga; Balan, Greta; Marrot, Jérôme; Shova, Sergiu; Guérineau, Vincent; Touboul, David; Tsapkov, Victor; Gulea, Aurelian; Floquet, Sébastien
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 26
• Pages of publication: 12043 - 12053
• a: 10.8643 ± 0.0003 Å
• b: 13.626 ± 0.0004 Å
• c: 19.5887 ± 0.0005 Å
• α: 102.185 ± 0.001°
• β: 94.753 ± 0.001°
• γ: 92.815 ± 0.001°
• Cell volume: 2818.16 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 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: 0.0921
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No