Information card for entry 7103567

Structure parameters

• Formula: C35 H44 Hf N2
• Calculated formula: C35 H44 Hf N2
• SMILES: [Hf]12([n]4c(c5c6c(ccc5C2CC)cccc6)cccc4C(N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C
• Title of publication: Synthesis of a new olefin polymerization catalyst supported by an sp3-C donor via insertion of a ligand-appended alkene into the Hf-C bond of a neutral pyridylamidohafnium trimethyl complex.
• Authors of publication: Domski, Gregory J; Edson, Joseph B; Keresztes, Ivan; Lobkovsky, Emil B; Coates, Geoffrey W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6137 - 6139
• a: 20.2668 ± 0.0009 Å
• b: 10.481 ± 0.0005 Å
• c: 14.6117 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3103.8 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No