Information card for entry 7717772

Structure parameters

• Formula: C64 H59 Cu4 N8 O13.5
• Calculated formula: C64 H59 Cu4 N8 O13.5
• Title of publication: Exploring structural, magnetic, and catalytic diversity in tetranuclear {Cu₄O₄} cubane cores and a dinuclear complex derived from closely related ligand systems.
• Authors of publication: Jana, Narayan Ch; Escuer, Albert; Brandão, Paula; Panja, Anangamohan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3000 - 3012
• a: 36.4484 ± 0.0007 Å
• b: 23.738 ± 0.0004 Å
• c: 14.043 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12150.2 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No