Information card for entry 4114558

Structure parameters

• Formula: C32 H51 B3 O6 Ru2
• Calculated formula: C32 H51 B3 O6 Ru2
• SMILES: [Ru]123456789([c]%10([c]6([c]5([c]4([c]2%10C)C)C)C)C)[H][BH]2[H]1[Ru]1456([H]9[BH]([H]3)[C]38=[C]72B(OC3(OC)C(=C)C(=O)OC)CCC(=O)OC)[c]2([c]4([c]5([c]6([c]21C)C)C)C)C
• Title of publication: Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework
• Authors of publication: Hong Yan; Alicia M. Beatty; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 16367 - 16382
• a: 8.799 ± 0.0004 Å
• b: 13.0672 ± 0.0006 Å
• c: 15.6891 ± 0.0007 Å
• α: 101.362 ± 0.001°
• β: 100.442 ± 0.001°
• γ: 101.297 ± 0.001°
• Cell volume: 1688.34 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No