Information card for entry 4307413

Structure parameters

• Chemical name: Tris(N,N-tetrahydrofurane)(μ~3~-oxo) hexakis(μ~2~-trichloroacetate)diiron(iii)iron(ii)
• Formula: C24 H24 Cl18 Fe3 O16
• Calculated formula: C24 H24 Cl18 Fe3 O16
• Title of publication: Synthesis and Reactivity of Haloacetato Derivatives of Iron(II) Including the Crystal and the Molecular Structure of [Fe(CF3COOH)2(μ-CF3COO)2]n
• Authors of publication: Fabio Marchetti; Fabio Marchetti; Bernardo Melai; Guido Pampaloni; Stefano Zacchini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3378 - 3384
• a: 18.3606 ± 0.0005 Å
• b: 18.3606 ± 0.0005 Å
• c: 26.0896 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7616.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No