Information card for entry 4064639

Structure parameters

• Formula: C35 H52 Cl2 Cr Li N2 O2 P
• Calculated formula: C35 H52 Cl2 Cr Li N2 O2 P
• SMILES: [Cr]12([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)[N](C(C)(C)C)=P(N2C(C)(C)C)(c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Highly Active Ethylene Oligomerization Catalysts
• Authors of publication: Albahily, Khalid; Licciulli, Sebastiano; Gambarotta, Sandro; Korobkov, Ilia; Chevalier, Reynald; Schuhen, Kathrine; Duchateau, Robbert
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3346
• a: 9.911 ± 0.002 Å
• b: 16.784 ± 0.003 Å
• c: 22.967 ± 0.005 Å
• α: 90°
• β: 91.307 ± 0.003°
• γ: 90°
• Cell volume: 3819.5 ± 1.3 ų
• Cell temperature: 201 ± 2 K
• Ambient diffraction temperature: 201 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2603
• 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: Yes
• Has Fobs: No