Information card for entry 1546742

Structure parameters

• Formula: C26 H40 F6 N8 O3 P Ru
• Calculated formula: C26 H40 F6 N8 O3 P Ru
• SMILES: [Ru]123(Oc4c(C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2ccccc2O1)cccc4)([NH]=C(N)N)[NH]=C(N)N.[P](F)(F)(F)(F)(F)[F-].O(CC)CC.[Ru]123(Oc4c(C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2ccccc2O1)cccc4)([NH]=C(N)N)[NH]=C(N)N.[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• Title of publication: Cytotoxic (Salen)ruthenium(III) Anticancer Complexes Exhibit Different Modes of Cell Death Directed by Axial Ligands
• Authors of publication: Li, Cai; Ip, Kwok-Wa; Man, Wai-Lun; Song, Dan; He, Ming-Liang; Yiu, Shek-Man; Lau, Tai-Chu; ZHU, Guangyu
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 14.1727 ± 0.0004 Å
• b: 16.5751 ± 0.0004 Å
• c: 14.5768 ± 0.0004 Å
• α: 90°
• β: 110.762 ± 0.003°
• γ: 90°
• Cell volume: 3201.92 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No