Information card for entry 1517414

Structure parameters

• Formula: C27 H18 Cl N5 O2.25 Ru
• Calculated formula: C27 H19 Cl N5 O2.25 Ru
• SMILES: [Ru]123456(Cl)([n]7cccc8c9c([nH]c(n9)c9c%10c([nH]c9)cccc%10)c6ccc[n]1c6c78)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]16.O.O.O
• Title of publication: Arene ruthenium(ii) complex, a potent inhibitor against proliferation, migration and invasion of breast cancer cells, reduces stress fibers, focal adhesions and invadopodia.
• Authors of publication: Wu, Qiong; He, Jiangtu; Mei, Wenjie; Zhang, Zhao; Wu, Xiaohui; Sun, Fenyong
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 2204 - 2212
• a: 27.1414 ± 0.0005 Å
• b: 27.1414 ± 0.0005 Å
• c: 7.5825 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5585.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No