Information card for entry 4074052

Structure parameters

• Formula: C18 H44 B20 O5 Ru2 S4 Se2
• Calculated formula: C18 H44 B20 O5 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]1=C(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([cH]2[cH]3[c]4([cH]8[cH]7[c]62C)C(C)C)[Se]51.O.O.O
• 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: 11.274 ± 0.002 Å
• b: 22.082 ± 0.005 Å
• c: 20.768 ± 0.005 Å
• α: 90°
• β: 103.722 ± 0.003°
• γ: 90°
• Cell volume: 5022.7 ± 1.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No