Information card for entry 7130756

Structure parameters

• Formula: C46 H54 B Co F3 Fe N14 O4.5 S
• Calculated formula: C46 H54 B Co F3 Fe N14 O4.5 S
• Title of publication: Metal-to-metal electron transfer in a cyanido-bridged {Fe₂Co₂} square complex followed by X-ray diffraction and absorption techniques.
• Authors of publication: Mathonière, Corine; Mitcov, Dmitri; Koumousi, Evangelia; Amorin-Rosario, Daniel; Dechambenoit, Pierre; Fatima Jafri, Sadaf; Sainctavit, Philippe; Cartier Dit Moulin, Christophe; Toupet, Loic; Trzop, Elzbieta; Collet, Eric; Arrio, Marie-Anne; Rogalev, Andrei; Wilhelm, Fabrice; Clérac, Rodolphe
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 86
• Pages of publication: 12098 - 12101
• a: 13.5817 ± 0.0009 Å
• b: 14.0463 ± 0.0008 Å
• c: 14.9259 ± 0.001 Å
• α: 69.516 ± 0.006°
• β: 89.648 ± 0.006°
• γ: 73.04 ± 0.006°
• Cell volume: 2536.7 ± 0.3 ų
• Cell temperature: 240 K
• Ambient diffraction temperature: 240 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2168
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No