Information card for entry 7040598

Structure parameters

• Formula: C34 H22 Cl2 N8 O4 Ru
• Calculated formula: C34 H22 Cl2 N8 O4 Ru
• SMILES: [Ru]123(Cl)([n]4c(c5[n]3cccc5)cccc4c3[n]2cccc3)[n]2c(nc3c4ccccc4c4c(cccc4)c3n2)c2[n]1ccnc2.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, characterization and biological evaluation of labile intercalative ruthenium(ii) complexes for anticancer drug screening.
• Authors of publication: Huang, Huaiyi; Zhang, Pingyu; Chen, Yu; Qiu, Kangqiang; Jin, Chengzhi; Ji, Liangnian; Chao, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 33
• Pages of publication: 13135 - 13145
• a: 8.5691 ± 0.0005 Å
• b: 22.4491 ± 0.0013 Å
• c: 16.537 ± 0.0011 Å
• α: 90°
• β: 104.962 ± 0.002°
• γ: 90°
• Cell volume: 3073.3 ± 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: 0.0837
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No