Information card for entry 4088211

Structure parameters

• Formula: C24 H22 Br Cl N2 O Ru S
• Calculated formula: C24 H22 Br Cl N2 O Ru S
• SMILES: [Ru]123456(Cl)(Oc7ccc(Br)cc7C=[N]1c1sc7c(n1)cccc7)[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: 8.1235 ± 0.0005 Å
• b: 21.4146 ± 0.0014 Å
• c: 13.0167 ± 0.0009 Å
• α: 90°
• β: 94.238 ± 0.001°
• γ: 90°
• Cell volume: 2258.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0307
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No