Information card for entry 1550510

Structure parameters

• Formula: C36 H42 Si Zr
• Calculated formula: C36 H42 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)(Cc1ccccc1)Cc1ccccc1)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: 12.4776 ± 0.0006 Å
• b: 14.8663 ± 0.0012 Å
• c: 17.9117 ± 0.0005 Å
• α: 100.463 ± 0.005°
• β: 101.218 ± 0.004°
• γ: 105.208 ± 0.006°
• Cell volume: 3048.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.9 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1746
• Residual factor for significantly intense reflections: 0.1518
• Weighted residual factors for significantly intense reflections: 0.3524
• Weighted residual factors for all reflections included in the refinement: 0.3705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.484
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No