Information card for entry 4109113

Structure parameters

• Formula: C31 H41 Cl Cr N O
• Calculated formula: C31 H41 Cl Cr N O
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Cr]12345(Oc2c(C=[N]1c1ccccc1)cc(cc2C(C)(C)C)C(C)(C)C)Cl)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: 13.117 ± 0.004 Å
• b: 11.47 ± 0.004 Å
• c: 20.571 ± 0.008 Å
• α: 90°
• β: 106.435 ± 0.011°
• γ: 90°
• Cell volume: 2968.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1466
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No