Information card for entry 7053677

Structure parameters

• Formula: C27 H33 Cl Cr N O
• Calculated formula: C27 H33 Cl Cr N O
• SMILES: [Cr]12345(Cl)(Oc6c(cccc6c6ccccc6)C=[N]1C(C)(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• 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: 7.7239 ± 0.0015 Å
• b: 16.784 ± 0.003 Å
• c: 20.079 ± 0.004 Å
• α: 80.09 ± 0.03°
• β: 80.03 ± 0.03°
• γ: 85.18 ± 0.03°
• Cell volume: 2521.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2172
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No