Information card for entry 4076754

Structure parameters

• Formula: C103 H82 B2 F48 P2 Ru
• Calculated formula: C103 H82 B2 F48 P2 Ru
• Title of publication: Reactivity of the Electron-Rich Allenylidene−Ruthenium Complexes [Cp*Ru{CCC(R)Ph}(dippe)][BPh4] (R = H, Ph). X-Ray Crystal Structure of a Novel Dicationic Ruthenium Carbyne (Cp* = C5Me5; dippe = 1,2-bis(diisopropylphosphine)ethane)
• Authors of publication: Bustelo, Emilio; Jiménez-Tenorio, Manuel; Mereiter, Kurt; Puerta, M. Carmen; Valerga, Pedro
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1903
• a: 13.878 ± 0.005 Å
• b: 14.199 ± 0.005 Å
• c: 27.619 ± 0.009 Å
• α: 97.97 ± 0.02°
• β: 98.67 ± 0.02°
• γ: 102.12 ± 0.02°
• Cell volume: 5178 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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 all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No