Information card for entry 7036063

Structure parameters

• Formula: C17 H20 Cl2 Cr N5
• Calculated formula: C17 H20 Cl2 Cr N5
• SMILES: [Cr]12(Cl)(Cl)([N]#CC)n3cccc3C=[N]1CC[NH]2c1ccccc1.N#CC
• Title of publication: Ethylene oligomerization promoted by chromium complexes bearing pyrrolide-imine-amine/ether tridentate ligands.
• Authors of publication: Pinheiro, A. C.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, Osvaldo L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 16073 - 16080
• a: 11.3556 ± 0.0002 Å
• b: 11.7592 ± 0.0002 Å
• c: 14.6216 ± 0.0003 Å
• α: 90°
• β: 96.896 ± 0.001°
• γ: 90°
• Cell volume: 1938.34 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No