Information card for entry 1554175

Structure parameters

• Formula: C33 H26 Cl2 Hf
• Calculated formula: C33 H26 Cl2 Hf
• SMILES: [Hf]123456789(Cl)(Cl)[c]%10([c]1%11[c]8(cccc%11)[c]19cccc[c]21%10)CC[c]13[c]4([cH]5[c]26cc3c(CCC3)c[c]712)c1ccccc1
• Title of publication: High-Melting, Elastic Polypropylene: A One-Pot, One-Catalyst Strategy toward Propylene-Based Thermoplastic Elastomers
• Authors of publication: Machat, Martin R.; Lanzinger, Dominik; Drees, Markus; Altmann, Philipp J.; Herdtweck, Eberhardt; Rieger, Bernhard
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 914
• a: 14.378 ± 0.0003 Å
• b: 14.7549 ± 0.0003 Å
• c: 14.6714 ± 0.0003 Å
• α: 90°
• β: 115.446 ± 0.0008°
• γ: 90°
• Cell volume: 2810.55 ± 0.1 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0121
• Residual factor for significantly intense reflections: 0.0116
• Weighted residual factors for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections included in the refinement: 0.0297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No