Information card for entry 4086012

Structure parameters

• Formula: C35 H50 Al Cl2 N O4 Ti
• Calculated formula: C35 H50 Al Cl2 N O4 Ti
• SMILES: [Ti]1234([O](C(C)(C)C)[Al]([O]2c5c(C[N]1(Cc1cc(cc(c1O3)C)C)Cc1cc(cc(c1O4)C)C)cc(cc5C)C)(C)C)C.ClCCl
• 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: 9.537 ± 0.004 Å
• b: 11.805 ± 0.005 Å
• c: 16.938 ± 0.007 Å
• α: 77.075 ± 0.011°
• β: 81.444 ± 0.008°
• γ: 83.505 ± 0.01°
• Cell volume: 1831.6 ± 1.3 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: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No