Information card for entry 7043950

Structure parameters

• Formula: C79 H67 Cu4 N14 O24.5
• Calculated formula: C79 H67 Cu4 N14 O24.5
• Title of publication: Unprecedented tetranuclear complexes "weighing balance shaped" topology: Single crystal structures, unusual EPR spectra, magnetic properties and antioxidant activity
• Authors of publication: Singh, Yogendra; Patel, Ram Niwas; Singh, Yogendra Pratap; Patel, Abhay Kumar; Patel, N.; Singh, Rita; Jasinski, Jerry P.; Butcher, R. J.; Colacio, Enrique; Palacios, Maria A.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.7802 ± 0.0003 Å
• b: 18.3127 ± 0.0004 Å
• c: 20.1463 ± 0.0006 Å
• α: 110.553 ± 0.002°
• β: 105.564 ± 0.002°
• γ: 95.942 ± 0.002°
• Cell volume: 4149.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1189
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No