Information card for entry 7222467

Structure parameters

• Formula: C42 H66 Cl6 Si2 Zr2
• Calculated formula: C42 H66 Cl6 Si2 Zr2
• SMILES: [c]12([c]34[c]5([c]6([c]1(C)[Zr]12456([Cl][Zr]2456([c]7([c]2([c]4([c]26c(c(c(c([c]572)C)C)C)C)C)C)[Si](C)(C)CCCC)(Cl)(Cl)[Cl]1)(Cl)Cl)C)c(c(c(c3C)C)C)C)[Si](C)(C)CCCC
• 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: 9.5271 ± 0.0001 Å
• b: 11.1274 ± 0.0001 Å
• c: 11.3616 ± 0.0001 Å
• α: 78.165 ± 0.001°
• β: 87.34 ± 0.001°
• γ: 77.902 ± 0.001°
• Cell volume: 1152.67 ± 0.02 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: 0.0292
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No