Information card for entry 4305640

Structure parameters

• Formula: C40 H84 B40 Fe O3 Ru4 S12
• Calculated formula: C40 H84 B40 Fe O3 Ru4 S12
• Title of publication: Mixed-Valent Diruthenium Half-Sandwich Complexes Containing Two Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dithiolate Ligands: Reactivity towards Phenylacetylene, 1,4-Diethynylbenzene, and Ethynylferrocene
• Authors of publication: Dehong Wu; Yuguang Li; Lei Han; Yizhi Li; Hong Yan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6524 - 6531
• a: 16.6027 ± 0.0011 Å
• b: 16.9671 ± 0.0016 Å
• c: 17.283 ± 0.002 Å
• α: 96.638 ± 0.003°
• β: 117.232 ± 0.002°
• γ: 91.548 ± 0.003°
• Cell volume: 4282.3 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No