Information card for entry 7719159

Structure parameters

• Formula: C22 H26 Cl F2 Mn N4 O6
• Calculated formula: C22 H26 Cl F2 Mn N4 O6
• 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: 7.678 ± 0.0008 Å
• b: 17.2702 ± 0.0016 Å
• c: 17.8199 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2362.9 ± 0.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No