Information card for entry 7025927

Structure parameters

• Formula: C44 H48 Cl6 F6 N4 O6 Ru2 S6
• Calculated formula: C44 H48 Cl6 F6 N4 O6 Ru2 S6
• SMILES: c1[n]2ccc(c1)SSc1cc[n](cc1)[Ru]13456([n]7ccc(cc7)SSc7cc[n]([Ru]89%10%11%122([c]2([cH]8[cH]9[c]%10([cH]%11[cH]%122)C)C(C)C)Cl)cc7)([c]2([cH]1[cH]3[c]4([cH]5[cH]62)C)C(C)C)Cl.FC(F)(F)S(=O)(=O)[O-].C(Cl)Cl.FC(F)(F)S(=O)(=O)[O-].C(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: 12.808 ± 0.004 Å
• b: 14.203 ± 0.004 Å
• c: 15.707 ± 0.004 Å
• α: 90°
• β: 102.793 ± 0.004°
• γ: 90°
• Cell volume: 2786.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No