Information card for entry 1502776

Structure parameters

• Formula: C28 H52 Hf N2
• Calculated formula: C28 H52 Hf N2
• SMILES: [Hf]1(N(C(C(=[N]1CCCCCCCC)C)(C)C)c1c(cccc1C(C)C)C(C)C)(C)(C)C
• Title of publication: Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection
• Authors of publication: Kuhlman, Roger L.; Klosin, Jerzy
• Journal of publication: Macromolecules
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7903
• a: 17.7939 ± 0.0019 Å
• b: 9.7642 ± 0.001 Å
• c: 17.6714 ± 0.0019 Å
• α: 90°
• β: 99.741 ± 0.002°
• γ: 90°
• Cell volume: 3026 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No