Information card for entry 7023320

Structure parameters

• Formula: C51 H82 Al Hf N O4
• Calculated formula: C51 H82 Al Hf N O4
• SMILES: [Hf]1234([O](C(C)C)[Al]([O]2c2c(C[N]1(Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)Cc1cc(cc(c1O4)C(C)(C)C)C(C)(C)C)cc(cc2C(C)(C)C)C(C)(C)C)(C)C)C
• Title of publication: Synthesis, structural analysis of the hetero-bimetallic complexes MMe[(O-2,4-tBu2C6H2-6-CH2)2(μ2-O-2,4-tBu2C6H2-6-CH2)N][Me2Al(μ2-OiPr)] [M = Zr, Hf] and their use in catalysis for ethylene polymerisation.
• Authors of publication: Takii, Yuki; Inagaki, Akiko; Nomura, Kotohiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11632 - 11639
• a: 20.154 ± 0.007 Å
• b: 11.472 ± 0.004 Å
• c: 22.293 ± 0.008 Å
• α: 90°
• β: 96.085 ± 0.003°
• γ: 90°
• Cell volume: 5125 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No