Information card for entry 1558650

Structure parameters

• Chemical name: [(NiMe6tren)2(C6H4O2)][B(C6F5)4]2
• Formula: C90 H90 B2 F40 N8 Ni2 O5
• Calculated formula: C90 H90 B2 F40 N8 Ni2 O5
• 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: 12.015 ± 0.002 Å
• b: 12.54 ± 0.002 Å
• c: 16.083 ± 0.003 Å
• α: 97.774 ± 0.003°
• β: 90.679 ± 0.003°
• γ: 101.898 ± 0.002°
• Cell volume: 2347.4 ± 0.7 ų
• Cell temperature: 100 ± 2 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: 0.0484
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No