Information card for entry 7711693

Structure parameters

• Formula: C50 H44 F12 N8 O P2 Ru
• Calculated formula: C50 H44 F12 N8 O P2 Ru
• SMILES: [Ru]123([n]4c(cc(cc4)C)c4[n]2ccc(c4)C)([n]2c4c5[n]1cccc5c1nc([nH]c1c4ccc2)c1ccc(c2ccccc2)cc1)[n]1c(c2[n]3ccc(c2)C)cc(cc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC
• Title of publication: The synthesis and antibacterial activity study of ruthenium-based metallodrugs with a membrane-disruptive mechanism against <i>Staphylococcus aureus</i>.
• Authors of publication: Chen, Yushou; Liu, Lianghong; Wang, Xuerong; Liao, Zhouyuji; Wang, Runbin; Xiong, Yanshi; Cheng, Jianxin; Jiang, Guijuan; Wang, Jintao; Liao, Xiangwen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 39
• Pages of publication: 14980 - 14992
• a: 11.2796 ± 0.0014 Å
• b: 23.099 ± 0.003 Å
• c: 18.796 ± 0.003 Å
• α: 90°
• β: 95.087 ± 0.004°
• γ: 90°
• Cell volume: 4878 ± 1.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1175
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No