Information card for entry 4307345

Structure parameters

• Common name: (3) Ti(OPy)2(ONep)2
• Formula: C22 H34 N2 O4 Ti
• Calculated formula: C22 H34 N2 O4 Ti
• SMILES: [Ti]12([n]3c(CO1)cccc3)([n]1ccccc1CO2)(OCC(C)(C)C)OCC(C)(C)C
• Title of publication: Controlled Synthesis of a Structurally Characterized Family of Sterically Constrained Heterocyclic Alkoxy-Modified Titanium Alkoxides
• Authors of publication: Timothy J. Boyle; Robin M. Sewell; Leigh Anna M. Ottley; Harry D. Pratt; Christopher J. Quintana; Scott D. Bunge
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1825 - 1835
• a: 10.185 ± 0.002 Å
• b: 22.944 ± 0.006 Å
• c: 10.047 ± 0.002 Å
• α: 90°
• β: 91.516 ± 0.018°
• γ: 90°
• Cell volume: 2347 ± 0.9 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No