Information card for entry 7031818

Structure parameters

• Formula: C38 H26 Cl2 Zr
• Calculated formula: C38 H26 Cl2 Zr
• SMILES: C1(=C2[c]34[cH]5[c]67cccc[c]68[cH]4[Zr]46789%1035([c]32[cH]4[c]29cccc[c]2%10[cH]63)(Cl)Cl)c2ccccc2c2ccccc12.c1ccccc1
• 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: 10.2021 ± 0.0009 Å
• b: 9.6547 ± 0.0008 Å
• c: 30.541 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3008.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No