Information card for entry 7717138

Structure parameters

• Formula: C43 H26 Br2 Cl2 F6 Fe N5 O6 S2
• Calculated formula: C43 H26 Br2 Cl2 F6 Fe N5 O6 S2
• Title of publication: Spin Crossover FeIII Complexes with a Substituted Hqnal Ligand: Effects of Anions and Solvents
• Authors of publication: Chen, Fengli; Liu, Xin-li; Zhao, Yue; Li, Gang; Gao, Bohong; Wang, Xin-Yi
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 13.346 ± 0.003 Å
• b: 13.72 ± 0.003 Å
• c: 13.909 ± 0.003 Å
• α: 104.951 ± 0.006°
• β: 101.543 ± 0.007°
• γ: 112.366 ± 0.006°
• Cell volume: 2145 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No