Information card for entry 7064283

Structure parameters

• Formula: C60 H72 B4 Cl2 F8 Fe N24 O10
• Calculated formula: C60 H72 B4 Cl2 F8 Fe N24 O10
• Title of publication: Linkage isomerism in a homoleptic Fe(ii) complex with BODIPY-1H-tetrazole ligands
• Authors of publication: Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Weinberger, Peter
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 13.1934 ± 0.0006 Å
• b: 15.1208 ± 0.0006 Å
• c: 18.2955 ± 0.0008 Å
• α: 88.901 ± 0.003°
• β: 90.465 ± 0.004°
• γ: 85.38 ± 0.003°
• Cell volume: 3637.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No