Information card for entry 7130758

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: 13.2457 ± 0.0011 Å
• b: 13.8227 ± 0.0009 Å
• c: 14.769 ± 0.0012 Å
• α: 69.953 ± 0.007°
• β: 87.972 ± 0.007°
• γ: 71.58 ± 0.007°
• Cell volume: 2402 ± 0.4 ų
• Cell temperature: 80 K
• Ambient diffraction temperature: 80 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: 0.1937
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1649
• 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: No
• Has Fobs: No