Information card for entry 7019210

Structure parameters

• Formula: C54 H112 O26 Ti6
• Calculated formula: C54 H106 O26 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: 12.05 ± 0.002 Å
• b: 13.898 ± 0.003 Å
• c: 14.06 ± 0.003 Å
• α: 106.04 ± 0.03°
• β: 110 ± 0.03°
• γ: 105.33 ± 0.03°
• Cell volume: 1951.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1672
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.3079
• Weighted residual factors for all reflections included in the refinement: 0.347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No