Information card for entry 4003478

Structure parameters

• Formula: C32 F56 Fe8 O32
• Calculated formula: C32 F56 Fe8 O32
• Title of publication: Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings
• Authors of publication: Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 16.9559 ± 0.0016 Å
• b: 28.654 ± 0.002 Å
• c: 31.215 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15166 ± 2 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1869
• Residual factor for significantly intense reflections: 0.1669
• Weighted residual factors for significantly intense reflections: 0.4568
• Weighted residual factors for all reflections included in the refinement: 0.4732
• Goodness-of-fit parameter for all reflections included in the refinement: 2.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No