Information card for entry 4336543

Structure parameters

• Formula: C20 H27 Cl2 N3 Ru S
• Calculated formula: C20 H27 Cl2 N3 Ru S
• SMILES: [Ru]123456(Cl)([S]=C(N[N]1=C(C)C)Nc1ccccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.[Cl-]
• Title of publication: Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes
• Authors of publication: Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12440 - 12449
• a: 9.8347 ± 0.0004 Å
• b: 10.3501 ± 0.0006 Å
• c: 12.009 ± 0.0005 Å
• α: 76.142 ± 0.004°
• β: 71.965 ± 0.004°
• γ: 84.612 ± 0.004°
• Cell volume: 1128.25 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No