Information card for entry 7717769

Structure parameters

• Formula: C52 H68 Cu4 N4 O12
• Calculated formula: C52 H68 Cu4 N4 O12
• 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: 15.2634 ± 0.0009 Å
• b: 15.2634 ± 0.0009 Å
• c: 11.3683 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2648.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No