Information card for entry 4074047

Structure parameters

• Formula: C14 H34 B20 Ru2 S6
• Calculated formula: C14 H34 B20 Ru2 S6
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[C]13%125[C]47%10%13[S]2[Ru]34(S1)(S[C]1567[BH]89%10[BH]%11%121[BH]1%135[BH]5%146[BH]6%15%13[BH]%13%121[BH]19%11[BH]9%118[BH]56([BH]%15%1319)[C]7%10%14%11S3)[S]1[Ru]356782([c]2([cH]3[cH]5[c]6([cH]7[cH]82)C(C)C)C)[S]41
• 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: 13.053 ± 0.003 Å
• b: 10.024 ± 0.002 Å
• c: 25.586 ± 0.005 Å
• α: 90°
• β: 98.12 ± 0.003°
• γ: 90°
• Cell volume: 3314.2 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKαdiffrn_radiation_sourcesealedtube
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No