Information card for entry 7224668

Structure parameters

• Formula: C17 H18 O11 Ru2 S2
• Calculated formula: C17 H18 O11 Ru2 S2
• SMILES: [Ru]12([Ru]([O]=C(O1)c1sccc1)(OC(=[O]2)c1sccc1)([OH]C)(C#[O])C#[O])([OH]C)(C#[O])C#[O].OC
• Title of publication: Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration
• Authors of publication: Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 19.8822 ± 0.0006 Å
• b: 8.7859 ± 0.0003 Å
• c: 28.4716 ± 0.0008 Å
• α: 90°
• β: 104.659 ± 0.003°
• γ: 90°
• Cell volume: 4811.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No