Information card for entry 7717768

Structure parameters

• Formula: C16 H18 N2 O4
• Calculated formula: C16 H18 N2 O4
• 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: 4.86772 ± 0.0001 Å
• b: 13.6394 ± 0.0002 Å
• c: 22.0354 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1462.99 ± 0.05 ų
• Cell temperature: 149.98 ± 0.16 K
• Ambient diffraction temperature: 149.98 ± 0.16 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No