Information card for entry 4086013

Structure parameters

• Formula: C33 H40 Al F6 N O4 Ti
• Calculated formula: C33 H40 Al F6 N O4 Ti
• SMILES: [Ti]1234([O](C(C(F)(F)F)C(F)(F)F)[Al]([O]1c1c(C[N]2(Cc2cc(cc(c2O3)C)C)Cc2cc(cc(c2O4)C)C)cc(cc1C)C)(C)C)C
• Title of publication: Synthesis of Titanium Complexes Containing an Amine Triphenolate Ligand of the Type [TiX{(O-2,4-R2C6H2)-6-CH2}3N] and the Ti‒Al Heterobimetallic Complexes with AlMe3: Effect of a Terminal Donor Ligand in Ethylene Polymerization
• Authors of publication: Nomura, Kotohiro; Tewasekson, Udomchai; Takii, Yuki
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3272
• a: 9.9894 ± 0.0005 Å
• b: 11.8733 ± 0.00017 Å
• c: 15.8248 ± 0.0006 Å
• α: 70.262 ± 0.016°
• β: 81.4 ± 0.02°
• γ: 70.669 ± 0.015°
• Cell volume: 1665.6 ± 0.2 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No