Information card for entry 4073382

Structure parameters

• Formula: C25 H30 N3 O2 Ti
• Calculated formula: C31 H40 O3 Ti
• SMILES: [Ti]1(Oc2c(cc(cc2Cc2cc(cc(c2O1)C(C)(C)C)C)C)C(C)(C)C)(OCC)c1ccccc1
• Title of publication: Unexpected Binuclear Bis(phenolato) Titanium (IV) {[(L)Ti(Ph)]2(μ-OEt)2} Assisted by Carbon−Oxygen Bond Cleavage and Alkali-Metal-Containing Titanium(III) Complexes [Ti(L)2·M(solv)2] (M = Li, Na, K; solv = THF, DME)
• Authors of publication: Zhang, Dao
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 16
• Pages of publication: 4072
• a: 11.277 ± 0.006 Å
• b: 17.83 ± 0.008 Å
• c: 14.245 ± 0.007 Å
• α: 90°
• β: 94.076 ± 0.009°
• γ: 90°
• Cell volume: 2857 ± 2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No