Information card for entry 7111882

Structure parameters

• Formula: C88 H84 B2 Cl2 Co2 Fe2 N26 O24
• Calculated formula: C88 H84 B2 Cl2 Co2 Fe2 N26 O24
• Title of publication: Selective on/off switching at room temperature of a magnetic bistable {Fe2Co2} complex with single crystal-to-single crystal transformation via intramolecular electron transfer
• Authors of publication: Li Cao; Jun Tao; Qian Gao; Tao Liu; Zhengcai Xia; Dongfeng Li
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1665
• a: 16.092 ± 0.004 Å
• b: 17.95 ± 0.004 Å
• c: 20.171 ± 0.003 Å
• α: 90°
• β: 123.172 ± 0.013°
• γ: 90°
• Cell volume: 4876.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.2522
• Residual factor for significantly intense reflections: 0.1277
• Weighted residual factors for significantly intense reflections: 0.3074
• Weighted residual factors for all reflections included in the refinement: 0.3841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No