Information card for entry 7222465

Structure parameters

• Formula: C32 H44 Si
• Calculated formula: C32 H44 Si
• SMILES: [C@@H]1(C(=C(c2c(c(c(c(c12)C)C)C)C)C)C)[Si]([C@H]1C(=C(c2c(c(c(c(c12)C)C)C)C)C)C)(C)C.[C@H]1(C(=C(c2c(c(c(c(c12)C)C)C)C)C)C)[Si]([C@@H]1C(=C(c2c(c(c(c(c12)C)C)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: 9.2291 ± 0.0007 Å
• b: 9.7804 ± 0.0007 Å
• c: 15.8873 ± 0.0012 Å
• α: 89.6 ± 0.006°
• β: 81.392 ± 0.006°
• γ: 73.234 ± 0.006°
• Cell volume: 1356.64 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for all reflections: 0.2791
• Weighted residual factors for significantly intense reflections: 0.2717
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9647
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No