Information card for entry 4064825

Structure parameters

• Formula: C30 H44 Hf N2
• Calculated formula: C30 H44 Hf N2
• SMILES: C[Hf]12345(C)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)N(c1c(cccc1C(C)C)C(C)C)c1(cccc([n]51)C)
• Title of publication: Synthesis of Alumina-Terminated Linear PE with a Hafnium Aminopyridinate Catalyst
• Authors of publication: Haas, Isabelle; Kretschmer, Winfried P.; Kempe, Rhett
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 4854
• a: 8.68 ± 0.0003 Å
• b: 22.753 ± 0.0009 Å
• c: 14.614 ± 0.0005 Å
• α: 90°
• β: 103.735 ± 0.003°
• γ: 90°
• Cell volume: 2803.67 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No