Information card for entry 4063370

Structure parameters

• Formula: C40 H52 Hf N2
• Calculated formula: C40 H52 Hf N2
• SMILES: [Hf]1(N(C(C(=[N]1CC)C)(C)C)c1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Imino-Amido Hf and Zr Complexes: Synthesis, Isomerization, and Olefin Polymerization
• Authors of publication: Froese, Robert D. J.; Jazdzewski, Brian A.; Klosin, Jerzy; Kuhlman, Roger L.; Theriault, Curt N.; Welsh, Dean M.; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 251 - 262
• a: 15.8229 ± 0.0006 Å
• b: 11.8056 ± 0.0005 Å
• c: 18.9863 ± 0.0008 Å
• α: 90°
• β: 99.439 ± 0.001°
• γ: 90°
• Cell volume: 3498.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No