Information card for entry 7130875

Structure parameters

• Formula: C65.86 H56.79 F12 Fe N18.93 O8 S4
• Calculated formula: C65.8588 H56.7882 F12 Fe N18.9294 O8 S4
• Title of publication: Synthesis and characterisation of an integratively self-sorted [Fe4L6]8+ tetrahedron
• Authors of publication: Taylor, Lauren L. K.; Andrews, Rebecca; Sung, April C. Y.; Vitorica-Yrezabal, Iñigo J.; Riddell, Imogen A.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.5031 ± 0.0002 Å
• b: 15.5665 ± 0.0003 Å
• c: 19.8576 ± 0.0004 Å
• α: 80.413 ± 0.002°
• β: 72.158 ± 0.002°
• γ: 77.821 ± 0.002°
• Cell volume: 3574.56 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0492
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No