Information card for entry 7113097

Structure parameters

• Formula: C26 H27 Cl2 N4 O4 Ru
• Calculated formula: C26 H27 Cl2 N4 O4 Ru
• SMILES: [Ru]123456(Cl)([n]7c8c9[n]1cccc9c1[nH]c([nH+]c1c8ccc7)c1cc(ccc1)O)[cH]1[cH]3[cH]2[cH]5[cH]6[cH]41.[Cl-].O.O.OC
• Title of publication: Arene ruthenium(ii) complexes induce S-phase arrest in MG-63 cells through stabilization of c-Myc G-quadruplex DNA
• Authors of publication: Fan, Cundong; Wu, Qiong; Chen, Tianfeng; Zhang, Yibo; Zheng, Wenjie; Wang, Qi; Mei, Wenjie
• Journal of publication: MedChemComm
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 597
• a: 16.2535 ± 0.0011 Å
• b: 7.7798 ± 0.0004 Å
• c: 22.0549 ± 0.0014 Å
• α: 90°
• β: 107.949 ± 0.008°
• γ: 90°
• Cell volume: 2653.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No