Information card for entry 4075324

Structure parameters

• Formula: C30 H60 B20 Ru2 Si2
• Calculated formula: C30 H60 B20 Ru2 Si2
• SMILES: [Ru]123456([C]789%10[C]%11%12%13(C(C)(C)[c]%141[cH]5[cH]4[cH]3[cH]2%14)[BH]127[BH]34%11[BH]57%12[BH]%118%13[BH]8%127[BH]745[BH]423[BH]291[BH]%10%118[BH]%12742)[C]1[Ru]2345789([C]%10%11%12%13[C]%14%15%16(C(C)(C)[c]%172[cH]3[cH]4[cH]5[cH]7%17)[BH]23%10[BH]45%14[BH]7%10%15[BH]%14%11%16[BH]%11%15%10[BH]%1057[BH]534[BH]3%122[BH]6%13%14%11[BH]%15%1053)[C]=1([Si](C)(C)C)[CH]8=[CH]9[Si](C)(C)C
• Title of publication: Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NCCH3)2with Me3SiC⋮CR. Synthesis and Structural Characterization of Mononuclear Ruthenium Bis(vinylidene) and Vinylvinylidene Complexes
• Authors of publication: Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 2719
• a: 18.2566 ± 0.0009 Å
• b: 10.5525 ± 0.0005 Å
• c: 22.7478 ± 0.0011 Å
• α: 90°
• β: 90.27 ± 0.001°
• γ: 90°
• Cell volume: 4382.4 ± 0.4 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: 0.0383
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No