Information card for entry 4336541

Structure parameters

• Formula: C14 H22 Cl2 N3 O0 Ru S
• Calculated formula: C14 H23 Cl2 N3 Ru S
• SMILES: C[c]12[cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456([S]=C(N[N]1=C(C)C)N)Cl)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: 15.0058 ± 0.0004 Å
• b: 9.1451 ± 0.0002 Å
• c: 14.6149 ± 0.0004 Å
• α: 90°
• β: 112.668 ± 0.003°
• γ: 90°
• Cell volume: 1850.67 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No