Information card for entry 4088210

Structure parameters

• Formula: C22 H22 Cl2 N2 O Ru
• Calculated formula: C22 H22 Cl2 N2 O Ru
• SMILES: [Ru]123456(Oc7c(C=[N]1c1ncccc1)cc(Cl)cc7)(Cl)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C
• Title of publication: Half-Sandwich Ruthenium Complexes with Schiff-Base Ligands: Syntheses, Characterization, and Catalytic Activities for the Reduction of Nitroarenes
• Authors of publication: Jia, Wei-Guo; Zhang, Hui; Zhang, Tai; Xie, Dong; Ling, Shuo; Sheng, En-Hong
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 503
• a: 13.8993 ± 0.0007 Å
• b: 15.3472 ± 0.0008 Å
• c: 20.0927 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4286.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No