Information card for entry 7032327

Structure parameters

• Formula: C42 H41 Cl2 Zr
• Calculated formula: C39 H40.5 Cl2 Zr
• 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: 8.6369 ± 0.0005 Å
• b: 11.7633 ± 0.0008 Å
• c: 33.907 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3444.9 ± 0.4 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: 0.1134
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.2372
• Weighted residual factors for all reflections included in the refinement: 0.2457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031823
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No