Information card for entry 7025928

Structure parameters

• Formula: C46 H48 Cl14 F6 N4 O6 Ru2 S6
• Calculated formula: C46 H48 Cl14 F6 N4 O6 Ru2 S6
• SMILES: c1cc2cc[n]1[Ru]13456([c]7([cH]6[cH]5[c]4([cH]3[cH]17)C)C(C)C)(Cl)[n]1ccc(SSc3cc[n](cc3)[Ru]34567([n]8ccc(SS2)cc8)([c]2([cH]7[cH]6[c]5([cH]4[cH]32)C)C(C)C)Cl)cc1.FC(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.FC(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis and structural characterization of binuclear half-sandwich iridium, rhodium and ruthenium complexes containing 4,4'-dipyridyldisulfide (4DPDS) ligands.
• Authors of publication: Han, Ying-Feng; Li, Hao; Fei, Yue; Lin, Yue-Jian; Zhang, Wan-Zheng; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 7119 - 7124
• a: 18.679 ± 0.007 Å
• b: 11.237 ± 0.004 Å
• c: 32.559 ± 0.012 Å
• α: 90°
• β: 94.083 ± 0.005°
• γ: 90°
• Cell volume: 6817 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No