Information card for entry 4080881

Structure parameters

• Chemical name: Ti(N2ArO)(NNPh2)(py)2
• Formula: C40 H46 N6 O Si2 Ti
• Calculated formula: C40 H46 N6 O Si2 Ti
• SMILES: [Ti]12(=NN(c3ccccc3)c3ccccc3)(N([Si](C)(C)C)c3c([O]2c2c(N1[Si](C)(C)C)cccc2)cccc3)([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: 12.5602 ± 0.0002 Å
• b: 28.568 ± 0.0005 Å
• c: 13.1348 ± 0.0002 Å
• α: 90°
• β: 104.057 ± 0.0006°
• γ: 90°
• Cell volume: 4571.9 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No