Information card for entry 4084004

Structure parameters

• Formula: C21 H31 Cl2 Cr N2 O1.5
• Calculated formula: C21 H31 Cl2 Cr N2 O1.5
• SMILES: [Cr]1(Cl)(Cl)([O]2CCCC2)([n]2cccc3cccc([N]41CCCCC4)c23)C.O1CCCC1
• 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: 8.94124 ± 0.00016 Å
• b: 13.0454 ± 0.0002 Å
• c: 19.7127 ± 0.0003 Å
• α: 94.5819 ± 0.0013°
• β: 96.4707 ± 0.0014°
• γ: 107.78 ± 0.0017°
• Cell volume: 2159.62 ± 0.07 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No