Information card for entry 4084003

Structure parameters

• Formula: C29 H39 Cl2 Cr N2 O2
• Calculated formula: C29 H39 Cl2 Cr N2 O2
• SMILES: [Cr]1(Cl)(Cl)([O]2CCCC2)([n]2cccc3cccc([N]41CCCCC4)c23)c1ccc(cc1)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: 25.392 ± 0.014 Å
• b: 14.42 ± 0.009 Å
• c: 15.624 ± 0.01 Å
• α: 90°
• β: 106.459 ± 0.011°
• γ: 90°
• Cell volume: 5486 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No