Information card for entry 7102814

Structure parameters

• Formula: C26 H34 Cl4 F6 O10 Rh2 S2
• Calculated formula: C26 H34 Cl4 F6 O10 Rh2 S2
• SMILES: C12=[O][Rh]3456([c]7([c]6([c]5([c]4([c]37C)C)C)C)C)(OC2=[O][Rh]2345([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)(O1)OS(=O)(C(F)(F)F)=O)OS(=O)(C(F)(F)F)=O.ClCCl.C(Cl)Cl
• Title of publication: Stepwise formation of "organometallic boxes" with half-sandwich Ir, Rh and Ru fragments
• Authors of publication: Han, Ying-Feng; Lin, Yue-Jian; Weng, Lin-Hong; Berke, Heinz; Jin, Guo-Xin
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 350 - 352
• a: 14.5 ± 0.02 Å
• b: 9.437 ± 0.014 Å
• c: 14.5 ± 0.02 Å
• α: 90°
• β: 108.711 ± 0.016°
• γ: 90°
• Cell volume: 1880 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1069
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No