Information card for entry 4084028

Structure parameters

• Formula: C25 H31 Cl3 Cr N2 O1.5 P
• Calculated formula: C25 H31 Cl3 Cr N2 O1.5 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: 11.5191 ± 0.0008 Å
• b: 17.7924 ± 0.0011 Å
• c: 14.4355 ± 0.001 Å
• α: 90°
• β: 106.654 ± 0.004°
• γ: 90°
• Cell volume: 2834.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.102
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1803
• 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: No
• Has Fobs: No