Information card for entry 1554174

Structure parameters

• Formula: C39 H28 Cl2 Hf
• Calculated formula: C39 H28 Cl2 Hf
• SMILES: [Hf]123456789(Cl)(Cl)[c]%10%11[c]1(cccc%10)[c]12[c]3(cccc1)[c]4%11CC[c]15[c]26[c]7(cc3c(c2)C2c4c(C3c3c2cccc3)cccc4)[cH]8[c]91C
• 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: 28.757 ± 0.005 Å
• b: 14.932 ± 0.003 Å
• c: 15.353 ± 0.003 Å
• α: 90°
• β: 93.341 ± 0.005°
• γ: 90°
• Cell volume: 6581 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No