Information card for entry 4080885

Structure parameters

• Chemical name: Ti (N2O)(NNPh2){N(NPh2)C(NAr)S}(py)
• Formula: C52 H70 N6 O S Si2 Ti
• Calculated formula: C52 H70 N6 O S Si2 Ti
• SMILES: [Ti]123(S/C(=N\c4c(cccc4C(C)C)C(C)C)N1N(c1ccccc1)c1ccccc1)([O](CCN2[Si](C)(C)C)CCN3[Si](C)(C)C)[n]1ccccc1.c1ccccc1.c1ccccc1
• 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: 19.8316 ± 0.0002 Å
• b: 22.3574 ± 0.0002 Å
• c: 47.3876 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21010.9 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No