Information card for entry 7024806

Structure parameters

• Formula: C30 H40 Cl2 O Ti
• Calculated formula: C30 H40 Cl2 O Ti
• SMILES: [Ti]1234(Cl)(Cl)(Oc5c(cccc5C(C)C)C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)c1ccc(cc1)C(C)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: 22.757 ± 0.005 Å
• b: 8.7719 ± 0.0018 Å
• c: 15.626 ± 0.003 Å
• α: 90°
• β: 103.38 ± 0.03°
• γ: 90°
• Cell volume: 3034.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No