Information card for entry 4087393

Structure parameters

• Formula: C40 H40 Hf N2
• Calculated formula: C40 H37.5 Hf N2
• SMILES: [Hf]1([n]2c3c(N1c1c(cc(cc1C)C)C)cccc3ccc2C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity
• Authors of publication: Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1354
• a: 20.9081 ± 0.0003 Å
• b: 18.6828 ± 0.0003 Å
• c: 18.2982 ± 0.0003 Å
• α: 90°
• β: 112.689 ± 0.001°
• γ: 90°
• Cell volume: 6594.53 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No