Information card for entry 7063243

Structure parameters

• Formula: C19 H31 Cu2 N8 O8.75 S2
• Calculated formula: C19 H31 Cu2 N8 O8.75 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: 10.3405 ± 0.0006 Å
• b: 11.1184 ± 0.0006 Å
• c: 13.3824 ± 0.0008 Å
• α: 98.573 ± 0.002°
• β: 90.073 ± 0.002°
• γ: 98.505 ± 0.002°
• Cell volume: 1504.22 ± 0.15 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0404
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No