Information card for entry 4083999

Structure parameters

• Formula: C28 H26 Cl2 Cr F3 N2 O1.5
• Calculated formula: C26 H22 Cl2 Cr F3 N2 O
• 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: 7.27844 ± 0.00015 Å
• b: 13.415 ± 0.0002 Å
• c: 13.7057 ± 0.0003 Å
• α: 79.9599 ± 0.0014°
• β: 86.4523 ± 0.0016°
• γ: 76.9127 ± 0.0016°
• Cell volume: 1283.16 ± 0.04 ų
• Cell temperature: 115.01 ± 0.1 K
• Ambient diffraction temperature: 115.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No