Information card for entry 4073184

Structure parameters

• Formula: C52 H78 Al2 Cl Cr N3
• Calculated formula: C52 H78 Al2 Cl Cr N3
• SMILES: [Cr]12345678([C]9%10C(=[N]([Al]%11%12([Cl][Al]([N]9%11C([CH]3=[CH]2[CH]1=%10)C([N]=%12c1c(cccc1C(C)C)C(C)C)C)(CC(C)C)CC(C)C)CC(C)C)c1c(cccc1C(C)C)C(C)C)C)[c]1([cH]8[cH]7[cH]6[cH]5[cH]41)C
• 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: 10.895 ± 0.006 Å
• b: 19.206 ± 0.011 Å
• c: 23.981 ± 0.014 Å
• α: 90°
• β: 101.029 ± 0.011°
• γ: 90°
• Cell volume: 4925 ± 5 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: 0.1065
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No