Information card for entry 7717135

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 Fe^III complexes with a substituted Hqnal ligand: effects of anions and solvents.
• Authors of publication: Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 42
• Pages of publication: 17233 - 17243
• a: 13.2508 ± 0.0012 Å
• b: 13.8357 ± 0.0013 Å
• c: 14.0684 ± 0.0014 Å
• α: 104.455 ± 0.003°
• β: 99.916 ± 0.004°
• γ: 111.885 ± 0.003°
• Cell volume: 2214.3 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0993
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No