Information card for entry 7000383

Structure parameters

• Formula: C22 H22 Cl Cr N2
• Calculated formula: C22 H22 Cl Cr N2
• SMILES: [Cr]12345(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)(Cl)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Half-sandwich chromium(iii) complexes bearing β-ketoiminato and β-diketiminate ligands as catalysts for ethylene polymerization
• Authors of publication: Huang, Yuan-Biao; Jin, Guo-Xin
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 5
• Pages of publication: 767 - 769
• a: 14.033 ± 0.005 Å
• b: 23.567 ± 0.008 Å
• c: 12.12 ± 0.004 Å
• α: 90°
• β: 90.023 ± 0.005°
• γ: 90°
• Cell volume: 4008 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No