Information card for entry 7044278

Structure parameters

• Formula: C32 H36 Ru2 S4
• Calculated formula: C32 H36 Ru2 S4
• SMILES: c12c(cccc1)S[Ru]134567([c]8([cH]6[cH]5[c]4([cH]3[cH]18)C(C)C)C)[S]2[Ru]123456([c]8([cH]6[cH]5[c]4([cH]3[cH]18)C(C)C)C)[S]7c1c(cccc1)S2
• Title of publication: Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands
• Authors of publication: Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.3501 ± 0.0003 Å
• b: 11.576 ± 0.0004 Å
• c: 15.4298 ± 0.0005 Å
• α: 90°
• β: 93.101 ± 0.002°
• γ: 90°
• Cell volume: 1489.27 ± 0.09 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.02 K
• Number of distinct elements: 4
• 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: 0.0729
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No