Information card for entry 4114555

Structure parameters

• Formula: C24 H43 B3 O2 Ru2
• Calculated formula: C24 H43 B3 O2 Ru2
• SMILES: [Ru]123456789([c]%10([c]6([c]5([c]3([c]2%10C)C)C)C)C)[H][B]2357[Ru]67%10%11%121([BH]12([H]5)[H][BH]14%10[H]8)([H]9)(C3CC(=O)OC)[c]1([c]6([c]7([c]%11([c]%121C)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: 8.6927 ± 0.0005 Å
• b: 12.2929 ± 0.0007 Å
• c: 12.4232 ± 0.0007 Å
• α: 97.835 ± 0.001°
• β: 93.948 ± 0.001°
• γ: 102.181 ± 0.001°
• Cell volume: 1278.97 ± 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: 0.0234
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No