Information card for entry 7063247

Structure parameters

• Formula: C22 H31 Cu2 N7 O5 S2
• Calculated formula: C22 H31 Cu2 N7 O5 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, 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: 8.3539 ± 0.0005 Å
• b: 13.0012 ± 0.0007 Å
• c: 15.5862 ± 0.0008 Å
• α: 67.663 ± 0.002°
• β: 75.254 ± 0.002°
• γ: 76.278 ± 0.002°
• Cell volume: 1495.45 ± 0.14 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No