Information card for entry 4084005

Structure parameters

• Formula: C18 H24 Cl3 Cr N2 O
• Calculated formula: C18 H24 Cl3 Cr N2 O
• SMILES: [Cr]1(Cl)(Cl)(Cl)([O]2CCCC2)[n]2cccc3cccc([N]41CCCCC4)c23
• 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: 7.553 ± 0.004 Å
• b: 9.006 ± 0.005 Å
• c: 15.393 ± 0.01 Å
• α: 92.44 ± 0.011°
• β: 103.042 ± 0.01°
• γ: 110.487 ± 0.016°
• Cell volume: 947 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1009
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No