Information card for entry 4065774

Structure parameters

• Formula: C33 H46 Al N O4 Ti
• Calculated formula: C33 H46 Al N O4 Ti
• SMILES: [Ti]1234([O]([Al]([O]1c1c(C[N]4(Cc4cc(cc(c4O2)C)C)Cc2cc(cc(c2O3)C)C)cc(cc1C)C)(C)C)C(C)C)C
• Title of publication: Hetero-bimetallic Complexes of Titanatranes with Aluminum Alkyls: Synthesis, Structural Analysis, and Their Use in Catalysis for Ethylene Polymerization
• Authors of publication: Gurubasavaraj, Prabhuodeyara M.; Nomura, Kotohiro
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 16
• Pages of publication: 3500
• a: 12.0736 ± 0.0007 Å
• b: 12.1902 ± 0.0006 Å
• c: 22.0576 ± 0.001 Å
• α: 90°
• β: 102.601 ± 0.0014°
• γ: 90°
• Cell volume: 3168.2 ± 0.3 ų
• Cell temperature: 113.1 K
• Ambient diffraction temperature: 113.1 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 significantly intense reflections: 0.0359
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No