Information card for entry 4300818

Structure parameters

• Common name: Bis[Nitrilotris(3,5-di-tert-butyl-2-cresolato)]di(mu-dibenzylphosphato) dititanium(IV) tetrakis(dichloromethane) solvate
• Formula: C122 H168 Cl8 N2 O14 P2 Ti2
• Calculated formula: C122 H168 Cl8 N2 O14 P2 Ti2
• Title of publication: Six-Coordinate Titanium Complexes of a Tripodal Aminetris(phenoxide) Ligand: Synthesis, Structure, and Dynamics
• Authors of publication: Fortner, Kevin C.; Bigi, Julian P.; Brown, Seth N.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2803 - 2814
• a: 27.0249 ± 0.0018 Å
• b: 13.5399 ± 0.0009 Å
• c: 34.491 ± 0.002 Å
• α: 90°
• β: 101.66 ± 0.001°
• γ: 90°
• Cell volume: 12360.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2617
• Weighted residual factors for all reflections included in the refinement: 0.2758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No