Information card for entry 7719238

Structure parameters

• Formula: C52 H36 Cl4 Cu4 N8 O12 S4
• Calculated formula: C52 H36 Cl4 Cu4 N8 O12 S4
• Title of publication: Structural, spectroscopic, theoretical, and magnetic investigations of a novel cubane-like tetranuclear copper(II)-hydrazone complex.
• Authors of publication: Santa Maria de la Parra, Lucía; Riafrecha, Leonardo E.; Echeverría, Gustavo A; Lezama, Luis; Piro, Oscar E.; Gil, Diego M.; Frontera, Antonio; León, Ignacio E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 37
• Pages of publication: 13976 - 13989
• a: 23.1797 ± 0.0007 Å
• b: 23.1797 ± 0.0007 Å
• c: 11.0445 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5934.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No