Information card for entry 7717164

Structure parameters

• Formula: C72.25 H61.21 F6 Fe2 N8 O12.25
• Calculated formula: C72.25 H61.207 F6 Fe2 N8 O12.25
• 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: 12.217 ± 0.005 Å
• b: 13.65 ± 0.008 Å
• c: 23.294 ± 0.009 Å
• α: 97.356 ± 0.015°
• β: 93.002 ± 0.012°
• γ: 107.035 ± 0.017°
• Cell volume: 3667 ± 3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No