Information card for entry 7050340

Structure parameters

• Formula: C31 H64 Cl5 Fe5 O9
• Calculated formula: C31 H64 Cl5 Fe5 O9
• Title of publication: Iron(III) and Titanium(IV) Oxoalkoxide Chemistry: Synthetic, Structural, Magnetochemical and Spectroscopic Studies of [Ti3(m3-OPri)2(m-OPri)3(OPri)6][FeCl4] and [Fe5(m5-O)(m-OPri)8Cl5]
• Authors of publication: Jaisa Fernandes Soares; David J. Evans; Geraldo R. Friedermann; Peter B. Hitchcock; G. Jeffery Leigh; Giovana G. Nunes; Dayane M. Reis; Eduardo L. Sa
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 15.4622 ± 0.0003 Å
• b: 15.4621 ± 0.0003 Å
• c: 19.2214 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4595.42 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :1
• Hall space group symbol: P 4ab -1ab
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No