Information card for entry 1549857

Structure parameters

• Formula: C20 H31 Cl2 N Si Ti
• Calculated formula: C20 H31 Cl2 N Si Ti
• SMILES: [c]123[c]4([c]5([c]67c(c(c(c([c]16[Ti]3457(N(C(C)C)[Si]2(C)C)(Cl)Cl)C)C)C)C)C)C
• Title of publication: Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis
• Authors of publication: Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 5454
• a: 11.5225 ± 0.0002 Å
• b: 12.9843 ± 0.0002 Å
• c: 15.2891 ± 0.0002 Å
• α: 90°
• β: 104.979 ± 0.002°
• γ: 90°
• Cell volume: 2209.7 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No