Information card for entry 7032661

Structure parameters

• Formula: C40 H26 Cl2 N10 O8 Ru S2
• Calculated formula: C40 H20 Cl2 N10 O8 Ru S2
• SMILES: [Ru]1234([n]5cccc6ccc7c([n]1c(cc7)c1[n]2nc2c(n1)c1c7c2cccc7ccc1)c56)[n]1ccsc1c1[n]3c(ccc1)c1scc[n]41.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Dual inhibition of topoisomerases I and IIα by ruthenium(ii) complexes containing asymmetric tridentate ligands.
• Authors of publication: Du, Kejie; Liang, Jiewen; Wang, Yi; Kou, Junfeng; Qian, Chen; Ji, Liangnian; Chao, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17303 - 17316
• a: 12.006 ± 0.002 Å
• b: 12.472 ± 0.003 Å
• c: 15.858 ± 0.003 Å
• α: 108.327 ± 0.003°
• β: 95.192 ± 0.003°
• γ: 112.091 ± 0.003°
• Cell volume: 2029 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No