Information card for entry 4307353

Structure parameters

• Common name: (12) Ti(OPy)2(DMP)2
• Formula: C28 H30 N2 O4 Ti
• Calculated formula: C28 H30 N2 O4 Ti
• SMILES: [Ti]12(Oc3c(cccc3C)C)(Oc3c(cccc3C)C)(OCc3[n]2cccc3)OCc2[n]1cccc2
• 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: 26.126 ± 0.004 Å
• b: 11.7662 ± 0.0016 Å
• c: 19.326 ± 0.003 Å
• α: 90°
• β: 121.224 ± 0.002°
• γ: 90°
• Cell volume: 5080.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No