Information card for entry 7050233

Structure parameters

• Common name: lid-shaped heptatitanate
• Chemical name: (μ2-1,3-propanediolato(O,O'))-bis(μ4-oxo)-bis(μ3-oxo)-octakis(μ2-ethoxo)-decakis(ethoxy)-hepta-titanium
• Formula: C39 H96 O24 Ti7
• Calculated formula: C39 H96 O24 Ti7
• 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: 12.0601 ± 0.0008 Å
• b: 13.733 ± 0.001 Å
• c: 20.595 ± 0.002 Å
• α: 105.244 ± 0.006°
• β: 91.599 ± 0.007°
• γ: 108.298 ± 0.006°
• Cell volume: 3101.8 ± 0.5 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: 0.148
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.171
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for all reflections: 3.45
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No