Information card for entry 7019207

Structure parameters

• Formula: C112 H224 O52 Ti14
• Calculated formula: C107.8 H211.4 O52 Ti14
• 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: 14.6235 ± 0.0014 Å
• b: 15.2468 ± 0.0014 Å
• c: 20.768 ± 0.0014 Å
• α: 74.516 ± 0.007°
• β: 73.579 ± 0.007°
• γ: 64.036 ± 0.009°
• Cell volume: 3937.9 ± 0.7 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: 0.1353
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No