Information card for entry 2235089

Structure parameters

• Common name: tris(3-chloro-acetilacetonato)iron(III)
• Chemical name: Tris(3-chloropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')iron(III)
• Formula: C15 H18 Cl3 Fe O6
• Calculated formula: C15 H18 Cl3 Fe O6
• SMILES: CC1=C(C(C)=[O][Fe]23(O1)([O]=C(C)C(=C(C)O3)Cl)OC(=C(C(C)=[O]2)Cl)C)Cl
• Title of publication: Tris(3-chloropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')iron(III)
• Authors of publication: Perdih, Franc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m807
• a: 15.7745 ± 0.0004 Å
• b: 9.5424 ± 0.0002 Å
• c: 12.9833 ± 0.0003 Å
• α: 90°
• β: 100.61 ± 0.001°
• γ: 90°
• Cell volume: 1920.92 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes