Information card for entry 7053675

Structure parameters

• Formula: C28 H34 Cl3 Cr N2 O3
• Calculated formula: C28 H34 Cl3 Cr N2 O3
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Cr]12345(Cl)[N](=Cc2c(c(cc(c2)N(=O)=O)c2ccccc2)O1)C(C)(C)C)C)C)C)C.C(Cl)Cl
• 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: 9.0986 ± 0.0018 Å
• b: 12.398 ± 0.003 Å
• c: 26.249 ± 0.005 Å
• α: 90°
• β: 94.29 ± 0.03°
• γ: 90°
• Cell volume: 2952.7 ± 1.1 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: 0.2201
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No