Information card for entry 4116990

Structure parameters

• Formula: C52 H71 B O2 P2 Ru
• Calculated formula: C62 H56 B O2 P2 Ru
• Title of publication: Alternative Mechanisms of the Alkyne to Vinylidene Isomerization Promoted by Half-Sandwich Ruthenium Complexes. X-ray Crystal Structures of [Cp*RuCCHCOOMe(dippe)][BPh4] and [Cp*RuH(C\τbCCOOMe)(dippe)][BPh4] (dippe = 1,2-bis(diisopropylphosphino)ethane; Cp* = C5Me5)
• Authors of publication: Isaac de los Ríos; Manuel Jiménez Tenorio; M. Carmen Puerta; Pedro Valerga
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 6529 - 6538
• a: 13.275 ± 0.002 Å
• b: 14.672 ± 0.003 Å
• c: 12.172 ± 0.002 Å
• α: 95.81 ± 0.02°
• β: 91.09 ± 0.01°
• γ: 94.36 ± 0.01°
• Cell volume: 2350.9 ± 0.7 ų
• Cell temperature: 290.2 K
• Ambient diffraction temperature: 290.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.0695
• Goodness-of-fit parameter for significantly intense reflections: 1.687
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No