Information card for entry 7130874

Structure parameters

• Formula: C132 H90 F24 Fe4 N26 O24 S8
• Calculated formula: C132 H90 F24 Fe4 N26 O24 S8
• 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: 31.99 ± 0.003 Å
• b: 18.5196 ± 0.0012 Å
• c: 28.075 ± 0.002 Å
• α: 90°
• β: 114.492 ± 0.011°
• γ: 90°
• Cell volume: 15136 ± 2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2015
• Residual factor for significantly intense reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.3475
• Weighted residual factors for all reflections included in the refinement: 0.3981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No