Information card for entry 4128433

Structure parameters

• Formula: C27 H33 Cr O3
• Calculated formula: C27 H33 Cr O3
• SMILES: [Cr]123([O](CCc4ccccc24)C)([O](CCc2ccccc32)C)[O](CCc2c1cccc2)C
• Title of publication: Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.
• Authors of publication: Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 14
• Pages of publication: 6022 - 6029
• a: 8.3974 ± 0.0004 Å
• b: 22.6187 ± 0.001 Å
• c: 12.1007 ± 0.0005 Å
• α: 90°
• β: 92.754 ± 0.002°
• γ: 90°
• Cell volume: 2295.73 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.09 K
• Number of distinct elements: 4
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No