Information card for entry 4307412

Structure parameters

• Formula: C20 H44 Br8 Fe3 N4 O6
• Calculated formula: C20 H44 Br8 Fe3 N4 O6
• 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: 20.253 ± 0.002 Å
• b: 12.093 ± 0.0013 Å
• c: 35.505 ± 0.004 Å
• α: 90°
• β: 91.396 ± 0.002°
• γ: 90°
• Cell volume: 8693.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2111
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2675
• Weighted residual factors for all reflections included in the refinement: 0.351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No