Information card for entry 4307414

Structure parameters

• Chemical name: Tris(N,N-dimethylformamide)(μ~3~-oxo) hexakis(μ~2~-trifluoroacetate)diiron(iii)iron(ii)
• Formula: C21 H21 F18 Fe3 N3 O16
• Calculated formula: C21 H21 F18 Fe3 N3 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: 18.1844 ± 0.0018 Å
• b: 18.1844 ± 0.0018 Å
• c: 22.747 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6514.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No