Information card for entry 1515432

Structure parameters

• Common name: (Bob)Ti(O2C12H4Me4) . 0.5 C6H14
• Chemical name: (2,2'-Biphenylbis(4-p-tolyl-2,4-butanedionato))- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) hemihexane solvate
• Formula: C53 H51 O6 Ti
• Calculated formula: C53 H51 O6 Ti
• Title of publication: Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides
• Authors of publication: Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 331
• a: 9.536 ± 0.0015 Å
• b: 10.7745 ± 0.0017 Å
• c: 21.214 ± 0.003 Å
• α: 87.903 ± 0.002°
• β: 87.712 ± 0.003°
• γ: 88.606 ± 0.002°
• Cell volume: 2175.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No