Information card for entry 4073181

Structure parameters

• Formula: C50.62 H74.28 Cr Li N3 O3
• Calculated formula: C46 H69 Cr Li N3 O3
• SMILES: [Cr]12([N](c3c(cccc3C(C)C)C(C)C)=C(C)c3[n]1c(ccc3)C(=C)N2c1c(cccc1C(C)C)C(C)C)C.[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Reactivity of Chromium Complexes of a Bis(imino)pyridine Ligand: Highly Active Ethylene Polymerization Catalysts Carrying the Metal in a Formally Low Oxidation State
• Authors of publication: Vidyaratne, Indu; Scott, Jennifer; Gambarotta, Sandro; Duchateau, Robbert
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3201
• a: 13.217 ± 0.014 Å
• b: 17.7 ± 0.02 Å
• c: 22.278 ± 0.012 Å
• α: 90°
• β: 95.46 ± 0.08°
• γ: 90°
• Cell volume: 5188 ± 9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No