Information card for entry 7024807

Structure parameters

• Formula: C28 H36 Cl2 O Ti
• Calculated formula: C28 H36 Cl2 O Ti
• SMILES: [Ti]1234(Cl)(Cl)(Oc5c(cccc5C(C)C)C(C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)c1ccc(cc1)C
• Title of publication: Propylene polymerization to high molecular weight atactic polypropylene and copolymerization with 1-hexene using monocyclopentadienyl titanium catalysts.
• Authors of publication: Wu, Qiaolin; Su, Qing; Ye, Ling; Li, Guanghua; Mu, Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2525 - 2535
• a: 8.3715 ± 0.0017 Å
• b: 17.975 ± 0.004 Å
• c: 36.081 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5429.4 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No