Information card for entry 7130872

Structure parameters

• Chemical name: C1
• Formula: C120.39 H94.58 Cl8 Fe4 N28.2 O32.99
• Calculated formula: C120.372 H94.5492 Cl7.998 Fe4 N28.186 O32.992
• 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: 21.14 ± 0.0007 Å
• b: 21.14 ± 0.0007 Å
• c: 67.0247 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 25940.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1947
• Residual factor for significantly intense reflections: 0.1384
• Weighted residual factors for significantly intense reflections: 0.3692
• Weighted residual factors for all reflections included in the refinement: 0.4153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No