Information card for entry 4336546

Structure parameters

• Formula: C26 H0.5 Cl5 N3 Ru S
• Calculated formula: C26 H30 Cl5 N3 Ru S
• SMILES: [Ru]123456(Cl)([S]=C(N[N]1=C(C)c1ccccc1)Nc1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[Cl-].ClC(Cl)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: 9.9199 ± 0.0004 Å
• b: 11.3989 ± 0.0005 Å
• c: 13.7623 ± 0.0005 Å
• α: 90.441 ± 0.003°
• β: 104.198 ± 0.003°
• γ: 94.091 ± 0.004°
• Cell volume: 1504.29 ± 0.11 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: 0.0484
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No