Information card for entry 7231169

Structure parameters

• Formula: C5.03 H2.74 Fe0.23 O1.37 Ru0.34 S0.23
• Calculated formula: C5.02857 H2.74286 Fe0.228571 O1.37143 Ru0.342857 S0.228571
• Title of publication: Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters
• Authors of publication: Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 45
• Pages of publication: 25268
• a: 14.508 ± 0.004 Å
• b: 8.676 ± 0.003 Å
• c: 34.637 ± 0.01 Å
• α: 90°
• β: 99.749 ± 0.01°
• γ: 90°
• Cell volume: 4297 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.1147
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2718
• Weighted residual factors for all reflections included in the refinement: 0.275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No