Information card for entry 4064642

Structure parameters

• Formula: C48 H72 Cl5 Cr2 Li N4 O2 P2
• Calculated formula: C48 H72 Cl5 Cr2 Li N4 O2 P2
• SMILES: [Cr]1234([Cl][Li]56([Cl]1[Cr]1([Cl]2)([Cl]36)([Cl]5)[N](C(C)(C)C)=P(N1C(C)(C)C)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1)[N](C(C)(C)C)=P(N4C(C)(C)C)(c1ccccc1)c1ccccc1
• 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: 12.2348 ± 0.0019 Å
• b: 12.872 ± 0.002 Å
• c: 18.296 ± 0.003 Å
• α: 71.893 ± 0.003°
• β: 85.406 ± 0.003°
• γ: 87.256 ± 0.003°
• Cell volume: 2729.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2432
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No