Information card for entry 4128434

Structure parameters

• Formula: C77.5 H62 B Cl Cr F24 N O2 P2
• Calculated formula: C77.5 H62 B Cl Cr F24 N O2 P2
• 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: 12.9268 ± 0.0007 Å
• b: 16.7595 ± 0.001 Å
• c: 18.995 ± 0.0009 Å
• α: 104.445 ± 0.002°
• β: 96.51 ± 0.002°
• γ: 107.746 ± 0.002°
• Cell volume: 3714.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No