Information card for entry 7708534

Structure parameters

• Formula: C20 H22 F8 Fe N4 O2 P
• Calculated formula: C20 H22 F8 Fe N4 O2 P
• Title of publication: Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.
• Authors of publication: Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• a: 15.98 ± 0.003 Å
• b: 11.5516 ± 0.0019 Å
• c: 12.899 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2381.1 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No