Information card for entry 7120855

Structure parameters

• Formula: C24 H28 Cl F6 N2 P Ru
• Calculated formula: C24 H28 Cl F6 N2 P Ru
• SMILES: [Ru]123456([cH]7[cH]1[cH]2[cH]3[cH]4[cH]57)(Cl)[n]1ccccc1C=[N]6c1c(cccc1C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Half-sandwich Ruthenium(II) Complexes Containing N^N chelated Imino-pyridyl Ligands That Are Selectively Toxic to Cancer Cells
• Authors of publication: Tian, Meng; Li, Juanjuan; zhang, shumiao; Guo, Lihua; He, Xiangdong; Kong, Deliang; Zhang, Hairong; Liu, Zhe
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 16.4797 ± 0.0011 Å
• b: 9.7608 ± 0.0006 Å
• c: 17.639 ± 0.0012 Å
• α: 90°
• β: 115.521 ± 0.001°
• γ: 90°
• Cell volume: 2560.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No