Information card for entry 7026880

Structure parameters

• Common name: (Tol2Bob)Ti(OTf)2 . 2 CDCl3
• Chemical name: (2,2'-Biphenyl-bis(4-p-tolyl-2,4-butanedionato))- bis(trifluoromethanesulfonato)titanium(IV) dideuterochloroform solvate
• Formula: C38 H28 Cl6 D2 F6 O10 S2 Ti
• Calculated formula: C38 H30 Cl6 F6 O10 S2 Ti
• Title of publication: Optically active bis(β-diketonate) complexes of titanium.
• Authors of publication: Kongprakaiwoot, Natcharee; Armstrong, Jack B.; Noll, Bruce C.; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10105 - 10115
• a: 11.1948 ± 0.0005 Å
• b: 14.8069 ± 0.0007 Å
• c: 16.0008 ± 0.0008 Å
• α: 62.997 ± 0.002°
• β: 71.233 ± 0.003°
• γ: 78.832 ± 0.003°
• Cell volume: 2233.95 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No