Information card for entry 7128754

Structure parameters

• Formula: C31 H44 Cl2 O Si Ti
• Calculated formula: C31 H44 Cl2 O Si Ti
• SMILES: [c]123[c]4([c]5([c]67[c]1(c(c(c(c6C)C)C)C)[Ti]3457(Oc1c(cc(cc1[Si]2(C)C)C(C)(C)C)C(C)(C)C)(Cl)Cl)C)C
• Title of publication: Supported permethylindenyl titanium catalysts for the synthesis of disentangled ultra-high molecular weight polyethylene (disUHMWPE).
• Authors of publication: Collins Rice, Clement G.; Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 69
• Pages of publication: 8600 - 8603
• a: 8.7639 ± 0.0002 Å
• b: 14.1232 ± 0.0003 Å
• c: 14.1951 ± 0.0004 Å
• α: 116.403 ± 0.002°
• β: 90.929 ± 0.002°
• γ: 104.547 ± 0.002°
• Cell volume: 1506.6 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.16 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: 0.0468
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No