Information card for entry 7050817

Structure parameters

• Common name: [Ti3(OiPr)9(OMe)2][Fe4TiCl4(O)(OiPr)9]
• Formula: C56 H132 Cl4 Fe4 O21 Ti4
• Calculated formula: C56 H132 Cl4 Fe4 O21 Ti4
• Title of publication: Novel double alkoxides of titanium(IV) and iron(II)/(III): synthetic, structural and spectroscopic studies
• Authors of publication: Nunes, Giovana G.; Reis, Dayane M.; Amorim, Priscila T.; Sá, Eduardo L.; Mangrich, Antonio S.; Evans, David J.; Hitchcock, Peter B.; Jeffery Leigh, G.; Nunes, Fábio S.; Soares, Jaísa F.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 519
• a: 13.9455 ± 0.0003 Å
• b: 38.1289 ± 0.0012 Å
• c: 16.0638 ± 0.0005 Å
• α: 90°
• β: 96.312 ± 0.002°
• γ: 90°
• Cell volume: 8489.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No