Information card for entry 7713105

Structure parameters

• Formula: C27 H30 Cl2 Hf Si
• Calculated formula: C27 H30 Cl2 Hf Si
• SMILES: [Hf]123456789(Cl)(Cl)[c]%10([c]1([c]2([c]3([c]4%10[Si](C)(C)[c]15[c]6([cH]7[c]28c(ccc[c]912)c1ccccc1)C)C)C)C)C
• Title of publication: C1-Symmetric {Cyclopentadienyl/Indenyl}-Metallocene Catalysts: Synthesis, Structure, Isospecific Polymerization of Propylene and Stereocontrol Mechanism
• Authors of publication: Theodosopoulou, Dimitra; De La Pena, Miguel Alonso; Abou-Derhamine, Sary; Douair, Iskander; Roisnel, Thierry; Cordier, Marie; Piola, Lorenzo; Fernandez, Alvaro; Welle, Alexandre; Maron, Laurent; Carpentier, Jean-Francois; Kirillov, Evgueni
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.232 ± 0.0015 Å
• b: 11.6128 ± 0.0015 Å
• c: 12.8244 ± 0.0017 Å
• α: 87.756 ± 0.005°
• β: 67.625 ± 0.005°
• γ: 81.863 ± 0.005°
• Cell volume: 1394.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No