Information card for entry 1565806

Structure parameters

• Formula: C33.5 H23 Cl N4 O2.5 Ru S2
• Calculated formula: C33.5 H23 Cl N4 O2.5 Ru S2
• SMILES: [Ru]123([S]=C(S1)c1cccc4ccccc14)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.OCC.[Cl-].OC.O
• Title of publication: Ruthenium(II) complexes with α- or β-dithionaphthoato ligands
• Authors of publication: Li, Guo-Qiang; Chen, Chong; Ji, Jiao; Jia, Ai-Quan; Zhang, Qian-Feng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2019
• Journal volume: 498
• Pages of publication: 119173
• a: 15.149 ± 0.003 Å
• b: 16.435 ± 0.003 Å
• c: 17.01 ± 0.003 Å
• α: 106.024 ± 0.003°
• β: 100.705 ± 0.003°
• γ: 115.49 ± 0.004°
• Cell volume: 3440.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No