Information card for entry 7049691

Structure parameters

• Common name: [Fe(L30b)2](BF4)
• Formula: C24 H26 B F4 Fe N4 O4
• Calculated formula: C24 H26 B F4 Fe N4 O4
• Title of publication: Isostructural iron(iii) spin crossover complexes with a tridentate Schiff base-like ligand: X-ray structures and magnetic properties.
• Authors of publication: Dankhoff, Katja; Weber, Birgit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15376 - 15380
• a: 8.6111 ± 0.0003 Å
• b: 16.4406 ± 0.0005 Å
• c: 17.5177 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2480.01 ± 0.16 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No