Information card for entry 7231165

Structure parameters

• Formula: C43 H31 Fe2 O8 Ru2 S2
• Calculated formula: C43 H31 Fe2 O8 Ru2 S2
• 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: 11.9891 ± 0.001 Å
• b: 12.0802 ± 0.001 Å
• c: 15.8425 ± 0.0014 Å
• α: 92.359 ± 0.003°
• β: 109.803 ± 0.002°
• γ: 108.441 ± 0.003°
• Cell volume: 2019.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No