Information card for entry 4350560

Structure parameters

• Common name: [(Tol2Bob)Ti(OiPr)(OEt2)]BArF
• Chemical name: (2,2'-Bis(4-p-tolyl-2,4-butanedionato)biphenyl)(isopropoxy)(diethyl ether)titanium(IV) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
• Formula: C73 H57 B F24 O6 Ti
• Calculated formula: C73 H57 B F24 O6 Ti
• Title of publication: Mononucleating bis(beta-diketonate) ligands and their titanium(IV) complexes.
• Authors of publication: Ugrinova, Vesela; Noll, Bruce C.; Brown, Seth N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10309 - 10320
• a: 19.8094 ± 0.0008 Å
• b: 20.0119 ± 0.0008 Å
• c: 18.8586 ± 0.0007 Å
• α: 90°
• β: 113.367 ± 0.002°
• γ: 90°
• Cell volume: 6862.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No