Information card for entry 7720044

Structure parameters

• Formula: C22 H38 Cl4 Cu4 N12 O29
• Calculated formula: C22 H38 Cl4 Cu4 N12 O29
• Title of publication: Phenoxido-bridged open-cubane [Cu₄(μ₃-OH)₂] and stepped-cubane [Cu₄(μ₃-OMe)₂] complexes from a semicarbazone Schiff base: synthesis, anion-coordination-tunable structures, biomimicking functions, DNA binding, magnetic behavior and theoretical support.
• Authors of publication: Manna, Anupama; Ansari, Mohammad Fawad; Arjmand, Farukh; Jagličić, Zvonko; Herchel, Radovan; Ray, Debashis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 3750 - 3767
• a: 13.9537 ± 0.0014 Å
• b: 25.08 ± 0.002 Å
• c: 14.9365 ± 0.0014 Å
• α: 90°
• β: 117.783 ± 0.004°
• γ: 90°
• Cell volume: 4624.6 ± 0.8 ų
• Cell temperature: 303 K
• Ambient diffraction temperature: 303 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No