Information card for entry 4084001

Structure parameters

• Formula: C29 H34 Cl2 Cr F3 N2 O2
• Calculated formula: C29 H34 Cl2 Cr F3 N2 O2
• Title of publication: Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization
• Authors of publication: Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5758
• a: 7.98731 ± 0.00005 Å
• b: 17.57878 ± 0.0001 Å
• c: 19.90726 ± 0.00018 Å
• α: 90°
• β: 92.9703 ± 0.0006°
• γ: 90°
• Cell volume: 2791.37 ± 0.03 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No