Information card for entry 1565225

Structure parameters

• Formula: C60 H96 Cl2 Cu4 N4 O17
• Calculated formula: C60 H96 Cl2 Cu4 N4 O17
• Title of publication: Catalytic promiscuity of a copper(II)-Mannich base complex having unprecedented radical pathway in catecholase activity
• Authors of publication: Dasgupta, Sanchari; Mandal, Arnab; Samanta, Debabrata; Zangrando, Ennio; Maity, Suvendu; Das, Debasis
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 505
• Pages of publication: 119480
• a: 30.491 ± 0.008 Å
• b: 30.491 ± 0.009 Å
• c: 15.224 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14154 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No