Information card for entry 1550507

Structure parameters

• Formula: C22 H28 Br2 Si Zr
• Calculated formula: C22 H28 Br2 Si Zr
• SMILES: [c]123[c]4([c]5([c]67[c]1(c(c(c(c6C)C)C)C)[Zr]16893457([c]3([cH]1[cH]6[cH]8[cH]93)[Si]2(C)C)(Br)Br)C)C
• Title of publication: Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene
• Authors of publication: Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 1386
• a: 52.0095 ± 0.0012 Å
• b: 19.2685 ± 0.0005 Å
• c: 8.6866 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8705.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No