Information card for entry 7019209

Structure parameters

• Formula: C64 H126 O27 Ti6
• Calculated formula: C60.2 H112.2 O27 Ti6
• Title of publication: The conversion of multinuclear μ-oxo titanium(iv) species in the reaction of Ti(O(i)Bu)(4) with branched organic acids; results of structural and spectroscopic studies.
• Authors of publication: Piszczek, P.; Radtke, A.; Muzioł, T; Richert, M.; Chojnacki, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 27
• Pages of publication: 8261 - 8269
• a: 25.421 ± 0.005 Å
• b: 14.31 ± 0.003 Å
• c: 27.301 ± 0.006 Å
• α: 90°
• β: 116.13 ± 0.03°
• γ: 90°
• Cell volume: 8916 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2491
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No