Information card for entry 4128240

Structure parameters

• Formula: C62 H54 F18 N12 Ni2 O2 P3
• Calculated formula: C62 H54 F18 N12 Ni2 O2 P3
• Title of publication: Using Redox-Active π Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions.
• Authors of publication: Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Platunov, Mikhail; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 19
• Pages of publication: 7721 - 7725
• a: 33.43 ± 0.003 Å
• b: 12.9935 ± 0.0016 Å
• c: 16.4397 ± 0.0019 Å
• α: 90°
• β: 114.415 ± 0.005°
• γ: 90°
• Cell volume: 6502.4 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No