Information card for entry 1563753

Structure parameters

• Chemical name: [Fe2(L4OIm-meta)3](BF4)4
• Formula: C76 H90 B4 F16 Fe2 N28 O14
• Calculated formula: C76 H90 B4 F16 Fe2 N28 O14
• Title of publication: Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates
• Authors of publication: Singh, Sandhya; Brooker, Sally
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 12.9427 ± 0.0004 Å
• b: 15.5781 ± 0.0006 Å
• c: 26.0851 ± 0.0009 Å
• α: 93.702 ± 0.003°
• β: 101.308 ± 0.003°
• γ: 93.154 ± 0.003°
• Cell volume: 5134.2 ± 0.3 ų
• Cell temperature: 253 ± 0.1 K
• Ambient diffraction temperature: 253 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2495
• Weighted residual factors for all reflections included in the refinement: 0.2745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No