Information card for entry 7050234

Structure parameters

• Common name: tentacular tetratitanate
• Chemical name: (μ4-2,2-bis(hydroxymethyl)-1,3-propanediolato(O,O',O'',O'''))-tetrakis(μ2-ethoxo)-octakis(ethoxy)-tetra-titanium
• Formula: C29 H68 O16 Ti4
• Calculated formula: C29 H68 O16 Ti4
• Title of publication: General principles driving the chemical reactivity of titanium(IV) alkoxides
• Authors of publication: Frédérique Biechel; Julien Dubuc; Marc Henry
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 764 - 769
• a: 9.5168 ± 0.0003 Å
• b: 13.4861 ± 0.0007 Å
• c: 17.8842 ± 0.0009 Å
• α: 99.008 ± 0.009°
• β: 90.923 ± 0.009°
• γ: 105.676 ± 0.009°
• Cell volume: 2178.6 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.103
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections: 2.265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.518
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No