Information card for entry 7050816

Structure parameters

• Common name: [Ti2FeCl(OiPr)9]
• Formula: C27 H63 Cl Fe O9 Ti2
• Calculated formula: C27 H59.997 Cl Fe O9 Ti2
• 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: 9.8982 ± 0.0001 Å
• b: 10.1089 ± 0.0002 Å
• c: 21.584 ± 0.0003 Å
• α: 84.213 ± 0.001°
• β: 83.627 ± 0.001°
• γ: 60.722 ± 0.001°
• Cell volume: 1869.47 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No