Information card for entry 4065776

Structure parameters

• Formula: C61.5 H86 Al N O4 Ti
• Calculated formula: C61.5 H86 Al N O4 Ti
• SMILES: [Ti]1234([O]([Al]([O]1c1c(C[N]4(Cc4cc(cc(c4O2)C(C)(C)C)C(C)(C)C)Cc2cc(cc(c2O3)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C)(C)C)C(C)C)C.c1(ccccc1)C.c1(ccccc1)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: 14.8862 ± 0.0008 Å
• b: 19.019 ± 0.001 Å
• c: 21.2587 ± 0.0011 Å
• α: 78.8979 ± 0.0017°
• β: 81.5674 ± 0.0019°
• γ: 89.0994 ± 0.0017°
• Cell volume: 5841.8 ± 0.5 ų
• Cell temperature: 113.1 K
• Ambient diffraction temperature: 113.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No