Information card for entry 1549855

Structure parameters

• Formula: C21 H33 Cl2 N Si Ti
• Calculated formula: C21 H33 Cl2 N Si Ti
• SMILES: [c]123[c]4([c]5([c]67[c]1(c(c(c(c6C)C)C)C)[Ti]3457(N(C(C)(C)C)[Si]2(C)C)(Cl)Cl)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: 8.268 ± 0.0006 Å
• b: 11.8794 ± 0.0007 Å
• c: 12.9943 ± 0.0007 Å
• α: 71.395 ± 0.005°
• β: 78.04 ± 0.005°
• γ: 70.734 ± 0.006°
• Cell volume: 1134.41 ± 0.13 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: 0.0464
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No