Information card for entry 7025926

Structure parameters

• Formula: C32 H40 Cl8 N2 Ru2 S2
• Calculated formula: C32 H40 Cl8 N2 Ru2 S2
• SMILES: [Ru]12345([n]6ccc(SSc7cc[n]([Ru]89%10%11%12(Cl)(Cl)[c]%13([cH]%12[cH]%11[c]%10([cH]9[cH]8%13)C)C(C)C)cc7)cc6)(Cl)(Cl)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)C(C)C.C(Cl)Cl.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: 40.54 ± 0.03 Å
• b: 10.141 ± 0.007 Å
• c: 26.817 ± 0.019 Å
• α: 90°
• β: 128.862 ± 0.007°
• γ: 90°
• Cell volume: 8585 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No