Information card for entry 4115112

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]6([c]7%10C)C)C)C)C)[B]246([H][Ru]147%10%11%12%13([H]9)([H][BH]15%13[H][BH]132[H]6)[c]1([c]%10([c]%11([c]7([c]%121C)C)C)C)C)C8(C)C(=O)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: 8.8737 ± 0.0005 Å
• b: 17.6413 ± 0.0009 Å
• c: 33.5339 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5249.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No