Information card for entry 4111549

Structure parameters

• Formula: C28 H45 B3 Ru2
• Calculated formula: C28 H45 B3 Ru2
• SMILES: [BH]1234[H][BH]564[Ru]4789%10%11%121([H][Ru]1%13%14%15%1624([H][B]571([H]6)[C]%12(C)c1ccccc1)([H]3)[c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C
• Title of publication: Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh
• Authors of publication: Hong Yan; Bruce C. Noll; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 4831 - 4844
• a: 19.534 ± 0.0005 Å
• b: 8.5747 ± 0.0002 Å
• c: 17.2984 ± 0.0005 Å
• α: 90°
• β: 109.896 ± 0.002°
• γ: 90°
• Cell volume: 2724.51 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No