Information card for entry 7031816

Structure parameters

• Formula: C44 H50 Si2
• Calculated formula: C44 H50 Si2
• SMILES: [Si]([C@@H]1C(=Cc2ccccc12)C(=C1c2c(cccc2)c2c1cccc2)C1=Cc2ccccc2[C@@H]1[Si](CC)(CC)CC)(CC)(CC)CC.[Si]([C@H]1C(=Cc2ccccc12)C(=C1c2c(cccc2)c2c1cccc2)C1=Cc2ccccc2[C@H]1[Si](CC)(CC)CC)(CC)(CC)CC
• Title of publication: 1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.
• Authors of publication: Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13219 - 13231
• a: 8.3973 ± 0.0011 Å
• b: 12.1375 ± 0.0014 Å
• c: 18.422 ± 0.002 Å
• α: 103.273 ± 0.006°
• β: 93.615 ± 0.007°
• γ: 92.848 ± 0.006°
• Cell volume: 1819.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0694
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No