Information card for entry 4305641

Structure parameters

• Formula: C14 H34 B20 Ru2 S4 Se2
• Calculated formula: C14 H34 B20 Ru2 S4 Se2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]615[BH]152[BH]%11%14([BH]%15961)[C]13%125[C]47%10%13[S]2[Ru]34(S1)(S[C]1567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]1%18%15[BH]%15%12%14[BH]%128%11[BH]869[BH]5%171[BH]%18%15%128)[C]7%10%13%16S3)[Se]1[Ru]356782([c]2([cH]3[cH]5[c]6([cH]7[cH]82)C(C)C)C)[Se]41
• 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: 13.135 ± 0.0018 Å
• b: 10.0121 ± 0.0014 Å
• c: 25.638 ± 0.004 Å
• α: 90°
• β: 98.073 ± 0.002°
• γ: 90°
• Cell volume: 3338.2 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No