Information card for entry 7053678

Structure parameters

• Formula: C22 H22 Cl3 Cr N2 O3
• Calculated formula: C22 H22 Cl3 Cr N2 O3
• SMILES: [Cr]12345(Cl)(Oc6c(cc(N(=O)=O)cc6C=[N]1C(C)C)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.ClCCl
• Title of publication: Synthesis, structures and ethylene polymerization behavior of half-metallocene chromium(iii) catalysts bearing salicylaldiminato ligands
• Authors of publication: Sun, Mingtai; Mu, Ying; Wu, Qiaolin; Gao, Wei; Ye, Ling
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2979
• a: 11.365 ± 0.002 Å
• b: 18.149 ± 0.004 Å
• c: 12.445 ± 0.003 Å
• α: 90°
• β: 110.76 ± 0.03°
• γ: 90°
• Cell volume: 2400.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No