Information card for entry 4114556

Structure parameters

• Formula: C24 H41 B3 O4 Ru2
• Calculated formula: C24 H41 B3 O4 Ru2
• SMILES: [Ru]1234567([c]8([c]4([c]3([c]2([c]18C)C)C)C)C)[H]1[Ru]23489%10([H][BH]1[C]7(C(=O)OC)=[C]5([BH]([H]68)[H]%10)B(O)O)[c]1([c]2([c]3([c]4([c]91C)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: 10.9258 ± 0.0007 Å
• b: 16.0455 ± 0.0011 Å
• c: 16.0955 ± 0.0011 Å
• α: 89.775 ± 0.001°
• β: 88.893 ± 0.001°
• γ: 74.149 ± 0.001°
• Cell volume: 2713.9 ± 0.3 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: 0.0644
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No