Information card for entry 4071965

Structure parameters

• Formula: C90 H96 Cl4 F12 N4 O24 Ru4 S4
• Calculated formula: C90 H88 Cl4 F12 N4 O24 Ru4 S4
• SMILES: c12c3c(c4c(c1Cl)O[Ru]15678([n]9ccc(c%10cc[n](cc%10)[Ru]%10%11%12%13%14%15(Oc%16c(c(c%17c(c%16Cl)O[Ru]%16%18%19%20%21([n]%22ccc(c%23cc[n](cc%23)[Ru]%23%24%25%26%27(O2)(O3)[c]2([cH]%27[cH]%26[c]%25([cH]%24[cH]%232)C)C(C)C)cc%22)(O%17)[c]2([cH]%16[cH]%18[c]%19([cH]%20[cH]%212)C)C(C)C)Cl)O%10)[c]2([cH]%15[cH]%14[c]%13([cH]%12[cH]%112)C)C(C)C)cc9)(O4)[c]2([cH]1[cH]5[c]6([cH]7[cH]82)C)C(C)C)Cl.FC(F)(F)S(=O)(=O)[O-].FC(S(=O)(=O)[O-])(F)F.c1(ccccc1)C.O.O.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].c1(ccccc1)C.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: 21.293 ± 0.006 Å
• b: 10.919 ± 0.003 Å
• c: 23.103 ± 0.007 Å
• α: 90°
• β: 91.099 ± 0.005°
• γ: 90°
• Cell volume: 5370 ± 3 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: 0.111
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No