Information card for entry 4327306

Structure parameters

• Formula: C20 H42 O10 Ti2
• Calculated formula: C20 H42 O10 Ti2
• Title of publication: Air-Stable Titanium Alkoxide Based Metal-Organic Framework as an Initiator for Ring-Opening Polymerization of Cyclic Esters
• Authors of publication: Christopher J. Chuck; Matthew G. Davidson; Matthew D. Jones; Gabriele Kociok-Köhn; Matthew D. Lunn; Stephen Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 6595 - 6597
• a: 10.991 ± 0.0002 Å
• b: 9.271 ± 0.0002 Å
• c: 12.335 ± 0.0002 Å
• α: 90°
• β: 100.976 ± 0.001°
• γ: 90°
• Cell volume: 1233.91 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No