Information card for entry 4084029

Structure parameters

• Formula: C28 H37 Cl3 Cr N2 O2 P
• Calculated formula: C28 H37 Cl3 Cr N2 O2 P
• Title of publication: Selective Ethylene Oligomerization with Chromium Complexes Bearing Pyridine‒Phosphine Ligands: Influence of Ligand Structure on Catalytic Behavior
• Authors of publication: Yang, Yun; Gurnham, Joanna; Liu, Boping; Duchateau, Robbert; Gambarotta, Sandro; Korobkov, Ilia
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5749
• a: 8.7264 ± 0.0003 Å
• b: 11.1945 ± 0.0004 Å
• c: 31.2243 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3050.2 ± 0.2 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: 0.0523
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No