Information card for entry 4109112

Structure parameters

• Formula: C29 H45 Cl Cr N O
• Calculated formula: C29 H45 Cl Cr N O
• SMILES: [Cr]12345(Cl)([N](C(C)(C)C)=Cc6c(O1)c(cc(c6)C(C)(C)C)C(C)(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Highly Active Half-Metallocene Chromium(III) Catalysts for Ethylene Polymerization Activated by Trialkylaluminum
• Authors of publication: Tieqi Xu; Ying Mu; Wei Gao; Jianguo Ni; Ling Ye; Yanchun Tao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2236 - 2237
• a: 27.687 ± 0.013 Å
• b: 15.086 ± 0.005 Å
• c: 18.057 ± 0.007 Å
• α: 90°
• β: 118.63 ± 0.014°
• γ: 90°
• Cell volume: 6620 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1391
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No