Information card for entry 4071966

Structure parameters

• Formula: C80 H76 Cl4 F12 N4 O20 Ru4 S4
• Calculated formula: C80 H76 Cl4 F12 N4 O20 Ru4 S4
• SMILES: c12c(Cl)c3c4c(c2O[Ru]25678([n]9ccc(cc9)/C=C/c9cc[n](cc9)[Ru]9%10%11%12%13%14(Oc%15c(c%16c(c(c%15O9)Cl)O[Ru]9%15%17%18%19([n]%20ccc(cc%20)/C=C/c%20cc[n](cc%20)[Ru]%20%21%22%23%24(O3)(O4)[c]3([cH]%24[cH]%23[c]%22([cH]%21[cH]%203)C)C(C)C)(O%16)[c]3([cH]9[cH]%15[c]%17([cH]%18[cH]%193)C)C(C)C)Cl)[c]3([cH]%14[cH]%13[c]%12([cH]%11[cH]%103)C)C(C)C)(O1)[c]1([cH]2[cH]5[c]6([cH]7[cH]81)C)C(C)C)Cl.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Stepwise Formation of Molecular Rectangles of Half-Sandwich Rhodium and Ruthenium Complexes Containing Bridging Chloranilate Ligands
• Authors of publication: Han, Ying-Feng; Jia, Wei-Guo; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5002
• a: 19.72 ± 0.02 Å
• b: 14.441 ± 0.015 Å
• c: 20.72 ± 0.02 Å
• α: 90°
• β: 115.138 ± 0.016°
• γ: 90°
• Cell volume: 5342 ± 9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No