Information card for entry 7222466

Structure parameters

• Formula: C32 H42 Cl2 Si Zr
• Calculated formula: C32 H42 Cl2 Si Zr
• SMILES: [c]123[c]4([c]5([c]67c(c(c(c([c]16[Zr]16893457([c]3([c]1([c]6([c]19c(c(c(c([c]831)C)C)C)C)C)C)[Si]2(C)C)(Cl)Cl)C)C)C)C)C)C
• Title of publication: Synthesis and characterisation of permethylindenyl zirconium complexes and their use in ethylene polymerisation
• Authors of publication: Buffet, Jean-Charles; Arnold, Thomas; Turner, Zoe; Angpanitcharoen, Phakpoom; OHare, Dermot
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.1078 ± 0.0001 Å
• b: 14.284 ± 0.0002 Å
• c: 14.3753 ± 0.0002 Å
• α: 90°
• β: 96.894 ± 0.001°
• γ: 90°
• Cell volume: 2875.91 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No