Information card for entry 4074051

Structure parameters

• Formula: C18 H38 B20 O2 Ru2 S4 Se2
• Calculated formula: C18 H38 B20 O2 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]345([S]1C=C([S]3[C]1367[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]3%171[BH]%18%15%128)[C]7%10%13%16S4)C(=O)OC)[Se]1[Ru]346782([c]2([cH]3[cH]4[c]6([cH]7[cH]82)C(C)C)C)[Se]51
• Title of publication: Diruthenium Half-Sandwich Complexes Containing One μ-E2(E = S, Se) Unit and Two Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dithiolate Ligands: Reactivity Studies with Methyl Acetylene Carboxylates
• Authors of publication: Wu, De-Hong; Xu, Bao-Hua; Li, Yi-Zhi; Yan, Hong
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6300
• a: 11.8523 ± 0.0016 Å
• b: 12.0728 ± 0.0016 Å
• c: 13.9244 ± 0.0019 Å
• α: 86.559 ± 0.002°
• β: 85.718 ± 0.002°
• γ: 68.181 ± 0.002°
• Cell volume: 1843.4 ± 0.4 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: 0.0887
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No