Information card for entry 4114559

Structure parameters

• Formula: C24 H42 B2 O Ru2
• Calculated formula: C24 H42 B2 O Ru2
• SMILES: [Ru]1234567([c]8([c]2([c]4([c]5([c]68C)C)C)C)C)[H][BH]2[H]1[Ru]145689([H]3[BH]([H]7)[C]5(=[C]24C)OC)[c]2([c]6([c]1([c]8([c]92C)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: 8.3722 ± 0.0004 Å
• b: 19.8606 ± 0.0008 Å
• c: 15.1043 ± 0.0006 Å
• α: 90°
• β: 95.638 ± 0.001°
• γ: 90°
• Cell volume: 2499.35 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No