Information card for entry 7041118

Structure parameters

• Formula: C20.5 H28.5 Cl3 N3 O1.25 Ru S
• Calculated formula: C20.5 H27.75 Cl3 N3 O1.25 Ru S
• SMILES: [Ru]123456(Cl)([S]=C(NC)N[N]1=Cc1ccc(OC)cc1)[c]1([cH]2[cH]3[c]6([cH]4[cH]51)C(C)C)C.[Cl-].ClCCl.O
• Title of publication: New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.
• Authors of publication: Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19329 - 19340
• a: 13.1337 ± 0.0009 Å
• b: 20.1079 ± 0.0019 Å
• c: 20.8773 ± 0.0013 Å
• α: 113.651 ± 0.008°
• β: 90.091 ± 0.005°
• γ: 99.696 ± 0.007°
• Cell volume: 4963.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2166
• Residual factor for significantly intense reflections: 0.1715
• Weighted residual factors for significantly intense reflections: 0.4172
• Weighted residual factors for all reflections included in the refinement: 0.4411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No