Information card for entry 4307351

Structure parameters

• Common name: (10) Ti(OPy)2(oPP)2
• Formula: C30 H34 N2 O4 Ti
• Calculated formula: C30 H34 N2 O4 Ti
• SMILES: [Ti]12(Oc3ccccc3C(C)C)(Oc3ccccc3C(C)C)(OCc3[n]1cccc3)OCc1[n]2cccc1
• 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: 12.144 ± 0.0017 Å
• b: 14.409 ± 0.002 Å
• c: 16.027 ± 0.002 Å
• α: 90°
• β: 97.499 ± 0.002°
• γ: 90°
• Cell volume: 2780.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No