Information card for entry 1550506

Structure parameters

• Formula: C26 H36 Cl2 Si Zr
• Calculated formula: C26 H36 Cl2 Si Zr
• SMILES: [c]123[c]4([c]5([c]67c(c(c(c([c]16[Zr]16893457([c]3([cH]1[c]6([cH]8[cH]93)CCCC)[Si]2(C)C)(Cl)Cl)C)C)C)C)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: 11.6286 ± 0.0001 Å
• b: 14.8501 ± 0.0001 Å
• c: 14.9589 ± 0.0001 Å
• α: 90°
• β: 99.332 ± 0.001°
• γ: 90°
• Cell volume: 2549 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No