Information card for entry 4307361

Structure parameters

• Common name: (22) Ti(OPy)2(DMBS)2
• Formula: C24 H42 N2 O4 Si2 Ti
• Calculated formula: C24 H42 N2 O4 Si2 Ti
• SMILES: [Ti]12(OCc3[n]1cccc3)(OCc1[n]2cccc1)(O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)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: 9.931 ± 0.0015 Å
• b: 14.414 ± 0.002 Å
• c: 21.413 ± 0.003 Å
• α: 90.701 ± 0.003°
• β: 92.43 ± 0.003°
• γ: 101.664 ± 0.003°
• Cell volume: 2998.5 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1519
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No