Information card for entry 1554172

Structure parameters

• Formula: C34 H28 Cl2 Hf
• Calculated formula: C34 H28 Cl2 Hf
• SMILES: [c]123cccc[c]41[c]15cccc[c]65[Hf]5789%10241(Cl)(Cl)[c]36C(C[c]15[c]27cc3c(CCC3)c[c]82[cH]9[c]%101C)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: 11.582 ± 0.003 Å
• b: 17.782 ± 0.004 Å
• c: 25.537 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5259 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No