Information card for entry 4085890

Structure parameters

• Formula: C56 H56 Cl Cr N6
• Calculated formula: C56 H56 Cl Cr N6
• SMILES: c12ccccc1C=[N](c1c(cccc1C(C)C)C(C)C)[Cr]13(Cl)(N2c2cccc4c2[n]1ccc4)N(c1ccccc1/C=N/c1c(cccc1C(C)C)C(C)C)c1cccc2c1[n]3ccc2
• Title of publication: Chromium Complexes withN,N,N-Tridentate Quinolinyl Anilido-Imine Ligand: Synthesis, Characterization, and Catalysis in Ethylene Polymerization
• Authors of publication: Hao, Zhiqiang; Xu, Bin; Gao, Wei; Han, Yuxi; Zeng, Guang; Zhang, Jingshun; Li, Guanghua; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2783
• a: 11.7689 ± 0.001 Å
• b: 15.0736 ± 0.0013 Å
• c: 16.3364 ± 0.0013 Å
• α: 77.712 ± 0.002°
• β: 78.893 ± 0.002°
• γ: 73.836 ± 0.002°
• Cell volume: 2692.1 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.1652
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.2837
• Weighted residual factors for all reflections included in the refinement: 0.341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No