Information card for entry 4350559

Structure parameters

• Common name: (tBu2Bob)titanium(IV) bis(2,6-diisopropylphenoxide) diethyl etherate
• Chemical name: (2,2'-Biphenylbis(4-t-butyl-2,4-butanedionato))titanium(IV) bis (2,6-diisopropylphenoxide) diethyl etherate
• Formula: C56 H76 O7 Ti
• Calculated formula: C56 H76 O7 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: 12.1602 ± 0.0008 Å
• b: 24.5344 ± 0.0015 Å
• c: 16.4754 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4915.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No