Information card for entry 4084006

Structure parameters

• Formula: C42 H45 Cr N2
• Calculated formula: C35 H37 Cr N2
• SMILES: [Cr]1([n]2cccc3cccc([N]41CCCCC4)c23)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• 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: 17.3318 ± 0.0008 Å
• b: 14.6278 ± 0.0006 Å
• c: 28.754 ± 0.0015 Å
• α: 90°
• β: 105.182 ± 0.005°
• γ: 90°
• Cell volume: 7035.5 ± 0.6 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No