Information card for entry 7063245

Structure parameters

• Formula: C36.15 H62 Cl4 Cu4 N12 O25 S4
• Calculated formula: C36.148 H62 Cl4 Cu4 N12 O25 S4
• 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, Jérome; Shova, Sergiu; Guérineau, Vincent; Touboul, D.; Tsapkov, Victor; Gulea, Aurelian; Floquet, Sebastien
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 9.082 ± 0.0011 Å
• b: 11.388 ± 0.0011 Å
• c: 16.0107 ± 0.0016 Å
• α: 102.963 ± 0.009°
• β: 95.669 ± 0.009°
• γ: 99.977 ± 0.009°
• Cell volume: 1572.9 ± 0.3 ų
• Cell temperature: 160.05 ± 0.1 K
• Ambient diffraction temperature: 160.05 ± 0.1 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: 0.1271
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.229
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No