Information card for entry 7718833

Structure parameters

• Formula: C98 H168 Cu2 N10 O17
• Calculated formula: C98 H168 Cu2 N10 O17
• Title of publication: Dicopper(II) metallacyclophanes featuring acridine-based spacers: long-range magnetic coupling and selective catalytic oxidation of hydroquinone.
• Authors of publication: Kalinke, Lucas Hoffmann Greghi; Souza, Maria Clara Orioli Emidio; Romanholo, Pedro Victor Valadares; Souza, Jackson Junior Santos de; Roveda, Jr, Antonio Carlos; Machado, Sergio Antonio Spinola; Valdo, Ana Karoline Silva Mendanha; Martins, Felipe Terra; Rabelo, Renato; Cano, Joan; Lloret, Francesc; Julve, Miguel; Sgobbi, Livia Flório; Cangussu, Danielle
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 25
• Pages of publication: 10097 - 10110
• a: 12.6818 ± 0.0018 Å
• b: 21.201 ± 0.003 Å
• c: 22.382 ± 0.003 Å
• α: 103.114 ± 0.004°
• β: 100.737 ± 0.004°
• γ: 106.417 ± 0.004°
• Cell volume: 5416.1 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No