Information card for entry 7025925

Structure parameters

• Formula: C34 H48 Cl4 Ir2 N2 O S2
• Calculated formula: C34 H48 Cl4 Ir2 N2 O S2
• SMILES: c1cc(cc[n]1[Ir]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(Cl)Cl)SSc1cc[n](cc1)[Ir]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(Cl)Cl.O(CC)CC
• 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: 14.994 ± 0.005 Å
• b: 14.994 ± 0.005 Å
• c: 18.752 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4216 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No