Information card for entry 7064281

Structure parameters

• Formula: C70.62 H98.5 B4 Cl2 F8 Fe N24 O12.62
• Calculated formula: C70.628 H94 B4 Cl2 F8 Fe N24 O12.628
• 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
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 4271 - 4277
• a: 33.0397 ± 0.0009 Å
• b: 14.6823 ± 0.0003 Å
• c: 17.0224 ± 0.0005 Å
• α: 90°
• β: 95.455 ± 0.002°
• γ: 90°
• Cell volume: 8220.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No