Information card for entry 4307357

Structure parameters

• Common name: 17 (OPy)2Ti(TCP)2
• Formula: C24 H16 Cl6 N2 O4 Ti
• Calculated formula: C24 H16 Cl6 N2 O4 Ti
• SMILES: c1(cc(Cl)c(c(c1)Cl)O[Ti]12([n]3c(CO1)cccc3)([n]1c(CO2)cccc1)Oc1c(cc(cc1Cl)Cl)Cl)Cl
• 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: 14.5686 ± 0.0011 Å
• b: 8.4738 ± 0.0006 Å
• c: 26.0177 ± 0.0019 Å
• α: 90°
• β: 95.68 ± 0.001°
• γ: 90°
• Cell volume: 3196.2 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No