Information card for entry 7719156

Structure parameters

• Formula: C22 H26 F2 Mn N4 O6 Re
• Calculated formula: C22 H26 F2 Mn N4 O6 Re
• Title of publication: Unveiling the Relationship between Counterion Size and Spin Crossover Dynamics in Hexadentate Schiff-Base Manganese(III) Complexes
• Authors of publication: Shang, Meng-Jia; Chen, Duyong; Zhou, Ren-He; Lu, Han-Han; Ma, Lin; Xiao, Jingyi; Zhao, Liang; Meng, Yin-Shan; Liu, Tao
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 7.5155 ± 0.0005 Å
• b: 18.6976 ± 0.0013 Å
• c: 17.7401 ± 0.0013 Å
• α: 90°
• β: 98.462 ± 0.003°
• γ: 90°
• Cell volume: 2465.7 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No