Information card for entry 7719239

Structure parameters

• Formula: C13 H11 Cl N2 O3 S
• Calculated formula: C13 H11 Cl N2 O3 S
• 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: 12.8111 ± 0.0005 Å
• b: 18.9792 ± 0.0005 Å
• c: 12.8573 ± 0.0005 Å
• α: 90°
• β: 117.617 ± 0.005°
• γ: 90°
• Cell volume: 2770 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0937
• 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: No
• Has Fobs: No