Information card for entry 7053676

Structure parameters

• Formula: C21 H21 Cl Cr N O
• Calculated formula: C21 H21 Cl Cr N O
• SMILES: [Cr]12345([N](=Cc6c(O1)c(ccc6)c1ccccc1)C(C)C)(Cl)[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 12.378 ± 0.003 Å
• b: 16.829 ± 0.003 Å
• c: 17.805 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3708.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No