Information card for entry 4073012

Structure parameters

• Formula: C18 H38 B20 O2 Ru2 S6
• Calculated formula: C18 H38 B20 O2 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]345([S]1C=C(C(=O)OC)[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]%129%11[BH]938[BH]6%171[BH]%18%15%129)[C]7%10%13%16S4)[S]1[Ru]346782([c]2([cH]3[cH]4[c]6([cH]7[cH]82)C(C)C)C)[S]51
• Title of publication: A Novel Dinuclear Ruthenium(I)/Ruthenium(III) Half-Sandwich Complex Containing Two Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dithiolate Ligands and Its Reactivity with Alkynes†
• Authors of publication: Wu, De-Hong; Ji, Cheng; Li, Yi-Zhi; Yan, Hong
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1560
• a: 12.078 ± 0.0016 Å
• b: 13.0508 ± 0.0018 Å
• c: 13.4696 ± 0.0019 Å
• α: 106.665 ± 0.002°
• β: 97.858 ± 0.002°
• γ: 108.704 ± 0.002°
• Cell volume: 1864.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No