Information card for entry 4073179

Structure parameters

• Formula: C47 H73 Cr Li N3 O3
• Calculated formula: C47 H73 Cr Li N3 O3
• SMILES: [Cr]12([N](=C(C)c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)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: 28.334 ± 0.012 Å
• b: 12.367 ± 0.005 Å
• c: 13.407 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4698 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No