Information card for entry 4071795

Structure parameters

• Formula: C38 H22 N2 O4 Ru2 S2
• Calculated formula: C38 H22 N2 O4 Ru2 S2
• SMILES: c1cccc2c3cccc4c3[Ru]3([n]12)([S](c1c4cccc1)[Ru]12([n]4ccccc4c4cccc(c24)c2c([S]31)cccc2)(C#[O])C#[O])(C#[O])C#[O]
• 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: 8.805 ± 0.003 Å
• b: 9.666 ± 0.004 Å
• c: 10.32 ± 0.004 Å
• α: 105.377 ± 0.009°
• β: 91.151 ± 0.004°
• γ: 109.159 ± 0.008°
• Cell volume: 794.4 ± 0.5 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No