Information card for entry 4080887

Structure parameters

• Chemical name: Ti(N2ArO)(NC(ArF)NNPh2)(py)
• Formula: C47 H46 F5 N7 O Si2 Ti
• Calculated formula: C47 H46 F5 N7 O Si2 Ti
• SMILES: [Ti]12([O](c3c(N1[Si](C)(C)C)cccc3)c1c(N2[Si](C)(C)C)cccc1)(=NC(=NN(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F)([n]1ccccc1)[n]1ccccc1
• Title of publication: Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands
• Authors of publication: Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 3091
• a: 12.1879 ± 0.0002 Å
• b: 12.4631 ± 0.0001 Å
• c: 18.7917 ± 0.0003 Å
• α: 73.5239 ± 0.0005°
• β: 86.8122 ± 0.0005°
• γ: 65.5205 ± 0.0005°
• Cell volume: 2484.9 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0426
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No