Information card for entry 2312690

Structure parameters

• Chemical name: <i>catena</i>-Poly[hexa-μ-acetato-(acetic acid)-μ~3~-oxido-<i>triangulo</i>-triiron(III)]-μ-acatato]
• Formula: C16 H25 Fe3 O17
• Calculated formula: C16 H25 Fe3 O17
• Title of publication: A polymeric form of basic iron(III) acetate with an acetic acid ligand.
• Authors of publication: Abrahams, Brendan F.; Robson, Richard; Commons, Christopher J.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 12
• a: 15.8661 ± 0.0003 Å
• b: 15.864 ± 0.0003 Å
• c: 19.5003 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4908.22 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.077
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes