Information card for entry 7717771

Structure parameters

• Formula: C44 H66 Cl Cu4 N5 O21
• Calculated formula: C44 H66 Cl Cu4 N5 O21
• 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: 11.9803 ± 0.0008 Å
• b: 25.4313 ± 0.0017 Å
• c: 18.5445 ± 0.0013 Å
• α: 90°
• β: 98.038 ± 0.002°
• γ: 90°
• Cell volume: 5594.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.99 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No