Information card for entry 4064248

Structure parameters

• Formula: C51 H62 Hf N2
• Calculated formula: C51 H62 Hf N2
• SMILES: [Hf]1(N(C2C(=[N]1c1c(cccc1C(C)C)C(C)C)CCCC=2)c1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis of Imino-Enamido Hafnium and Zirconium Complexes: A New Family of Olefin Polymerization Catalysts with Ultrahigh-Molecular-Weight Capabilities
• Authors of publication: Figueroa, Ruth; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1695
• a: 11.938 ± 0.0012 Å
• b: 18.1666 ± 0.0018 Å
• c: 20.536 ± 0.002 Å
• α: 100.946 ± 0.002°
• β: 97.789 ± 0.002°
• γ: 91.155 ± 0.002°
• Cell volume: 4327.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No