Information card for entry 4073384

Structure parameters

• Formula: C54 H80 K O8 Ti
• Calculated formula: C54 H80 K O8 Ti
• SMILES: [Ti]123[O](c4c(cc(cc4Cc4cc(cc(c4O1)C(C)(C)C)C)C)C(C)(C)C)[K]14([O]3c3c(cc(cc3Cc3cc(cc(c3O2)C(C)(C)C)C)C)C(C)(C)C)([O](CC[O]1C)C)[O](CC[O]4C)C
• 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: 16.2073 ± 0.0005 Å
• b: 16.3911 ± 0.0005 Å
• c: 20.669 ± 0.0007 Å
• α: 90°
• β: 97.077 ± 0.002°
• γ: 90°
• Cell volume: 5449 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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 all reflections: 0.1562
• Residual factor for significantly intense reflections: 0.1468
• Weighted residual factors for significantly intense reflections: 0.3321
• Weighted residual factors for all reflections included in the refinement: 0.3377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No