Information card for entry 4073182

Structure parameters

• Formula: C35 H49 Al Cl2 Cr N3
• Calculated formula: C35 H49 Al Cl2 Cr N3
• SMILES: [Cr]123([N](=C(C)c4[n]1c(ccc4)C(=[N]2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[Cl][Al]([Cl]3)(C)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: 14.337 ± 0.017 Å
• b: 14.879 ± 0.017 Å
• c: 17.38 ± 0.02 Å
• α: 90°
• β: 98.86 ± 0.02°
• γ: 90°
• Cell volume: 3663 ± 7 ų
• Cell temperature: 207 ± 2 K
• Ambient diffraction temperature: 207 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No