Information card for entry 4076782

Structure parameters

• Formula: C22 H40 B10 Ru2 Se3
• Calculated formula: C22 H40 B10 Ru2 Se3
• SMILES: [Ru]1234567([Ru]89%10%11%12%13([Se]1[C]1%14%15%16[C]%17%18%19([Se]28[Se]39)[BH]231[BH]18%14[BH]9%14%15[BH]%15%16%17[BH]%16%17%14[BH]%1489[BH]831[BH]1%182[BH]%19%15%16[BH]%17%1481)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C
• Title of publication: Dinuclear Half-Sandwich Complexes Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolato Ligands. Molecular Structures of Cp2Fe2(CO)3[μ-Se2C2(B10H10)], Cp2Ru2[μ-S2C2(B10H10)]2, and Cp*2Ru2(μ-Se)[μ-Se2C2(B10H10)]
• Authors of publication: Lu, Shixiang; Jin, Guo-Xin; Eibl, Stefan; Herberhold, Max; Xin, Yan
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2533
• a: 17.406 ± 0.004 Å
• b: 11.362 ± 0.002 Å
• c: 17.428 ± 0.004 Å
• α: 90°
• β: 117.02 ± 0.01°
• γ: 90°
• Cell volume: 3070.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0662
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.0705
• Goodness-of-fit parameter for all reflections: 0.85
• Goodness-of-fit parameter for significantly intense reflections: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No