Information card for entry 7718832

Structure parameters

• Formula: C34 H42 Cu2 N6 Na4 O26
• Calculated formula: C34 H42 Cu2 N6 Na4 O26
• 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: 16.306 ± 0.003 Å
• b: 7.5244 ± 0.0013 Å
• c: 18.238 ± 0.004 Å
• α: 90°
• β: 98.206 ± 0.008°
• γ: 90°
• Cell volume: 2214.8 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.168
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No