Information card for entry 7719154

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: 7.3125 ± 0.0003 Å
• b: 18.6666 ± 0.0009 Å
• c: 17.5563 ± 0.0008 Å
• α: 90°
• β: 99.136 ± 0.002°
• γ: 90°
• Cell volume: 2366.03 ± 0.19 ų
• Cell temperature: 60 ± 2 K
• Ambient diffraction temperature: 60 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No