Information card for entry 7717162

Structure parameters

• Formula: C36.15 H30.3 Cl0.3 F4 Fe N4 O6
• Calculated formula: C36.15 H30.3 Cl0.3 F4 Fe N4 O6
• Title of publication: Effects of mono- or di-fluoro-substitution on spin crossover behavior in a pair of Schiff base-like Fe^II-coordination polymers.
• Authors of publication: Luo, Yu; Zhou, Ren-He; Shao, Zhen; Liu, Dan; Lu, Han-Han; Shang, Meng-Jia; Zhao, Liang; Liu, Tao; Meng, Yin-Shan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 35
• Pages of publication: 14692 - 14700
• a: 15.418 ± 0.002 Å
• b: 12.9986 ± 0.0018 Å
• c: 17.693 ± 0.002 Å
• α: 90°
• β: 99.066 ± 0.003°
• γ: 90°
• Cell volume: 3501.6 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0487
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No