Information card for entry 4071798

Structure parameters

• Formula: C24.5 H17.5 Cl2.5 F3 N O3 Ru S2
• Calculated formula: C24.5 H17.5 Cl2.5 F3 N O3 Ru S2
• SMILES: [Ru]123456(Cl)([S]7c8c(c9[n]1cccc9)cccc8c1c7cccc1)[cH]1[cH]6[cH]5[cH]4[cH]3[cH]21.ClC(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes
• Authors of publication: Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4475
• a: 13.923 ± 0.002 Å
• b: 14.058 ± 0.003 Å
• c: 15.425 ± 0.003 Å
• α: 106.098 ± 0.002°
• β: 95.814 ± 0.002°
• γ: 114.678 ± 0.003°
• Cell volume: 2553 ± 0.8 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No