Information card for entry 1505127

Structure parameters

• Formula: C33 H40 Hf N2
• Calculated formula: C33 H40 Hf N2
• SMILES: [Hf]12(N(Cc3[n]1c(ccc3)c1ccccc21)c1c(cccc1C(C)C)C(C)C)(C)C.Cc1ccccc1
• Title of publication: Polymerization of α-Olefins with Pyridylamidohafnium Catalysts: Living Behavior and Unexpected Isoselectivity from aCs-Symmetric Catalyst Precursor
• Authors of publication: Domski, Gregory J.; Lobkovsky, Emil B.; Coates, Geoffrey W.
• Journal of publication: Macromolecules
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 3510
• a: 11.0762 ± 0.0007 Å
• b: 11.953 ± 0.0008 Å
• c: 12.8362 ± 0.0009 Å
• α: 79.555 ± 0.003°
• β: 66.82 ± 0.003°
• γ: 67.872 ± 0.003°
• Cell volume: 1446.09 ± 0.17 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: 0.0296
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No