Information card for entry 1534401

Structure parameters

• Formula: C38 H57 Cl F19 N7 O5 P3 Ru
• Calculated formula: C38 H57 Cl F19 N7 O5 P3 Ru
• SMILES: [Ru]123456([n]7ccn(CCOc8c(OC)cc9ncnc(Nc%10ccc(F)c(Cl)c%10)c9c8)c7)([NH2]CC[NH2]1)[cH]1[c]6([cH]5[cH]4[c]3([cH]21)C(C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC.OC.OC
• Title of publication: Discovery of a dual-targeting organometallic ruthenium complex with high activity inducing early stage apoptosis of cancer cells.
• Authors of publication: Du, Jun; Zhang, Erlong; Zhao, Yao; Zheng, Wei; Zhang, Yang; Lin, Yu; Wang, Zhaoying; Luo, Qun; Wu, Kui; Wang, Fuyi
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 1573 - 1583
• a: 10.036 ± 0.002 Å
• b: 14.855 ± 0.003 Å
• c: 18.895 ± 0.004 Å
• α: 73.62 ± 0.03°
• β: 76.36 ± 0.03°
• γ: 87.09 ± 0.03°
• Cell volume: 2626 ± 1.1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No