Information card for entry 1558652

Structure parameters

• Chemical name: [(NiMe6tren)2(C6H4O2)][B(C6F5)4]3
• Formula: C106 H74 B3 F60 N8 Ni2 O3
• Calculated formula: C106 H74 B3 F60 N8 Ni2 O3
• 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: 26.694 ± 0.01 Å
• b: 22.411 ± 0.008 Å
• c: 19.45 ± 0.007 Å
• α: 90°
• β: 110.424 ± 0.004°
• γ: 90°
• Cell volume: 10904 ± 7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No