Information card for entry 4128431

Structure parameters

• Formula: C21 H21 Cr O3
• Calculated formula: C21 H21 Cr O3
• 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: 12.015 ± 0.0016 Å
• b: 12.4851 ± 0.0016 Å
• c: 15.1703 ± 0.0019 Å
• α: 75.513 ± 0.005°
• β: 87.541 ± 0.005°
• γ: 80.203 ± 0.005°
• Cell volume: 2171.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No