Information card for entry 4116299

Structure parameters

• Chemical name: 1-(Cp*Ru)-2-(Cp*RuCO)-3-Co(CO)2-(mu-CO)B3H6
• Formula: C24 H36 B3 Co O4 Ru2
• Calculated formula: C24 H36 B3 Co O4 Ru2
• SMILES: [Ru]123456789%10([Ru]%11%12%13%14%15%16%17%18([Co]1([BH]5[BH]153[BH]2%11([H]%12)([H]41)[H]5)([C]%10%17=O)(C#[O])(C#[O])C%18=O)[c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)
• Authors of publication: Xinjian Lei; Maoyu Shang; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 1275 - 1287
• a: 8.532 ± 0.003 Å
• b: 38.001 ± 0.004 Å
• c: 9.327 ± 0.003 Å
• α: 90°
• β: 116.68 ± 0.03°
• γ: 90°
• Cell volume: 2702.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections: 0.1768
• Weighted residual factors for significantly intense reflections: 0.1759
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No