Information card for entry 7720915

Structure parameters

• Formula: C43 H49 Cl2 Hf N Si
• Calculated formula: C43 H49 Cl2 Hf N Si
• Title of publication: Ph2Si-Bridged Constrained-Geometry Complexes of Hafnium and Titanium for Copolymerization of Ethylene and 1-Octene: An Experimental and Computational Comparison
• Authors of publication: Kuchuk, Ekaterina; Giffin, Kaitie; Welle, Alexandre; Den Dauw, Katty; Fernandez, Alvaro; Cordier, Marie; Roisnel, Thierry; Carpentier, Jean-Francois; Kirillov, Evgueni
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.6214 ± 0.001 Å
• b: 10.814 ± 0.0011 Å
• c: 19.814 ± 0.002 Å
• α: 78.369 ± 0.004°
• β: 85.156 ± 0.004°
• γ: 76.25 ± 0.003°
• Cell volume: 1959.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No