Information card for entry 4307356

Structure parameters

• Common name: (16) Ti(OPy)2(2BP)2
• Formula: C24 H20 Br2 N2 O4 Ti
• Calculated formula: C24 H20 Br2 N2 O4 Ti
• SMILES: [Ti]12(OCc3[n]2cccc3)(OCc2[n]1cccc2)(Oc1ccccc1Br)Oc1ccccc1Br
• 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: 8.995 ± 0.018 Å
• b: 11.89 ± 0.02 Å
• c: 12.11 ± 0.02 Å
• α: 95.62 ± 0.03°
• β: 90.64 ± 0.03°
• γ: 102.69 ± 0.03°
• Cell volume: 1257 ± 4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1966
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.2603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No