Information card for entry 4082010

Structure parameters

• Formula: C86 H108 Al2 Cl Cr N2 P4
• Calculated formula: C86 H108 Al2 Cl Cr N2 P4
• Title of publication: Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand
• Authors of publication: Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7204
• a: 17.5558 ± 0.0012 Å
• b: 17.556 Å
• c: 26.847 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8274.5 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No