Information card for entry 4073380

Structure parameters

• Formula: C37 H44 O2 Ti
• Calculated formula: C37 H44 O2 Ti
• SMILES: [Ti]1(Oc2c(cc(cc2Cc2cc(cc(c2O1)C(C)(C)C)C)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1
• 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: 9.946 ± 0.006 Å
• b: 9.941 ± 0.006 Å
• c: 18.143 ± 0.01 Å
• α: 71.33 ± 0.02°
• β: 74.88 ± 0.03°
• γ: 76.26 ± 0.03°
• Cell volume: 1617.2 ± 1.7 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No