Information card for entry 4076781

Structure parameters

• Formula: C18 H38 B20 O Ru2 S4
• Calculated formula: C18 H38 B20 O Ru2 S4
• SMILES: O1CCCC1.[cH]12[cH]3[cH]4[cH]5[Ru]678134(S[C]1349[BH]%10%11%12[BH]%13%14%15[C]%161%10([S]8[Ru]18%10%17%187([S]6[C]67%19%20[BH]%21%22%23[BH]%24%256[BH]6%267[BH]7%27%19[C]%19%20%23(S%18)[BH]%18%20%21[BH]%21%22%24[BH]%22%256[BH]6%267[BH]%27%19%18[BH]%20%21%226)[cH]6[cH]1[cH]8[cH]%10[cH]%176)[BH]16%13[BH]73%16[BH]386[BH]6%151[BH]1%12%14[BH]%104%11[BH]973[BH]861%10)[cH]25
• 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: 17.894 ± 0.004 Å
• b: 14.026 ± 0.003 Å
• c: 14.276 ± 0.003 Å
• α: 90°
• β: 108.11 ± 0.03°
• γ: 90°
• Cell volume: 3405.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.1245
• Weighted residual factors for significantly intense reflections: 0.1175
• Goodness-of-fit parameter for all reflections: 0.882
• Goodness-of-fit parameter for significantly intense reflections: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No