Information card for entry 4079167

Structure parameters

• Formula: C19 H20 N2
• Calculated formula: C19 H20 N2
• SMILES: N(c1cccc2c1nc(cc2C)C)c1c(cccc1C)C
• Title of publication: Hafnium Amidoquinoline Complexes: Highly Active Olefin Polymerization Catalysts with Ultrahigh Molecular Weight Capacity
• Authors of publication: Fontaine, Philip P.; Klosin, Jerzy; McDougal, Nolan T.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6244
• a: 11.4006 ± 0.0004 Å
• b: 7.6959 ± 0.0003 Å
• c: 17.9355 ± 0.0006 Å
• α: 90°
• β: 108.246 ± 0.001°
• γ: 90°
• Cell volume: 1494.5 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No