Information card for entry 1558649

Structure parameters

• Chemical name: [(CoMe6tren)2(C6H4O2)][B(C6F5)4]2
• Formula: C86 H80 B2 Co2 F40 N8 O4
• Calculated formula: C86 H80 B2 Co2 F40 N8 O4
• Title of publication: Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation
• Authors of publication: Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 12.009 ± 0.003 Å
• b: 12.574 ± 0.003 Å
• c: 16.141 ± 0.004 Å
• α: 82.488 ± 0.003°
• β: 89.864 ± 0.003°
• γ: 77.525 ± 0.003°
• Cell volume: 2358.5 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No