Information card for entry 7122250

Structure parameters

• Formula: C44 H54 Cl2 Si Zr
• Calculated formula: C44 H54 Cl2 Si Zr
• Title of publication: Popcorn-shaped polyethylene synthesised using highly active supported permethylindenyl metallocene catalyst systems.
• Authors of publication: Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 78
• Pages of publication: 10970 - 10973
• a: 10.5809 ± 0.0003 Å
• b: 13.3793 ± 0.0003 Å
• c: 14.5519 ± 0.0005 Å
• α: 94.719 ± 0.002°
• β: 106.544 ± 0.003°
• γ: 94.233 ± 0.002°
• Cell volume: 1957.84 ± 0.1 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: 0.056
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No