Information card for entry 4115113

Structure parameters

• Formula: C24 H43 B3 O2 Ru2
• Calculated formula: C24 H43 B3 O2 Ru2
• SMILES: [Ru]123456789([c]%10([c]2([c]4([c]5([c]6%10C)C)C)C)C)[H][BH]824[H][BH]54OC(=[C]7([BH]34[H][Ru]35671284([H]9)[c]1([c]7([c]6([c]8([c]31C)C)C)C)C)C)OC
• Title of publication: Facile Hydrometalation of Alkynes by nido-1,2-(Cp*RuH)2B3H7 Yielding Novel Ru-B Edge-Bridging Alkylidenes. Stepwise Conversion of HC\τbCC(O)OMe into nido-1,2-(Cp*RuH)2-3-HOB-4-MeC-5-MeOC-BH3, Cp* = η5-C5Me5
• Authors of publication: Hong Yan; Alicia M. Beatty; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10280 - 10281
• a: 11.4297 ± 0.0007 Å
• b: 14.8019 ± 0.0009 Å
• c: 15.4447 ± 0.0009 Å
• α: 90°
• β: 93.053 ± 0.001°
• γ: 90°
• Cell volume: 2609.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No