Information card for entry 7041124

Structure parameters

• Formula: C21 H29 Cl2 N3 O2 Ru S
• Calculated formula: C21 H29 Cl2 N3 O2 Ru S
• SMILES: [Ru]123456(Cl)([S]=C(N[N]1=Cc1ccccc1OC)NCC)[cH]1[c]6([cH]5[cH]4[c]3([cH]21)C(C)C)C.[Cl-].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: 9.153 ± 0.003 Å
• b: 10.916 ± 0.003 Å
• c: 13.509 ± 0.004 Å
• α: 93.863 ± 0.004°
• β: 92.27 ± 0.004°
• γ: 113.587 ± 0.004°
• Cell volume: 1230.9 ± 0.6 ų
• Cell temperature: 296.13 K
• Ambient diffraction temperature: 296.15 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: 0.0275
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0357
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No