Information card for entry 4073180

Structure parameters

• Formula: C33 H43 Cl Cr N3
• Calculated formula: C33 H43 Cl Cr N3
• SMILES: [Cr]12(Cl)[N](=C(c3[n]1c(C(=[N]2c1c(cccc1C(C)C)C(C)C)C)ccc3)C)c1c(cccc1C(C)C)C(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: 8.528 ± 0.019 Å
• b: 8.731 ± 0.019 Å
• c: 23.05 ± 0.05 Å
• α: 95.08 ± 0.04°
• β: 95.4 ± 0.04°
• γ: 109.66 ± 0.03°
• Cell volume: 1596 ± 6 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1617
• 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