Information card for entry 7041122

Structure parameters

• Formula: C38 H52 Cl F6 N6 O4 P Ru2 S2
• Calculated formula: C38 H52 Cl F6 N6 O4 P Ru2 S2
• SMILES: [Ru]1234567([S](C(N)=[N]2N=Cc2cc(OC)ccc2)[Ru]289%10%11%12([S]1C(N)=[N]2N=Cc1cc(OC)ccc1)[c]1([cH]%12[cH]%11[c]%10([cH]9[cH]81)C(C)C)C)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)C(C)C)C.[Cl-].[P](F)(F)(F)(F)(F)[F-].O.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: 12.8583 ± 0.0011 Å
• b: 15.1999 ± 0.0011 Å
• c: 24.0255 ± 0.0013 Å
• α: 90°
• β: 95.636 ± 0.006°
• γ: 90°
• Cell volume: 4673 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.1812
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No