Information card for entry 5000376

Structure parameters

• Formula: C57 H59 B F25 O P2 Ru
• Calculated formula: C57 H59 B F25 O P2 Ru
• Title of publication: The First η^2^-CH~2~Cl~2~ Adduct of Ru(II):[RuH(η^2^-CH~2~Cl~2~)(CO)(P^t^Bu~2~Me)~2~][BAr'~4~] (Ar' = 3,5-C~6~H~3~(CF~3~)~2~) and Its RuH(CO)(P^t^Bu~2~Me)~2~ + Precursor
• Authors of publication: Huang, Dejian; Huffman, John C.; Bollinger, John C.; Eisenstein, Odile; Caulton, Kenneth G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Journal issue: 31
• Pages of publication: 7398 - 7399
• a: 18.744 ± 0.003 Å
• b: 17.87 ± 0.003 Å
• c: 18.608 ± 0.003 Å
• α: 90°
• β: 95.48 ± 0.01°
• γ: 90°
• Cell volume: 6204.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1632
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections: 0.155
• Weighted residual factors for significantly intense reflections: 0.13
• Goodness-of-fit parameter for all reflections: 1.264
• Goodness-of-fit parameter for significantly intense reflections: 1.533
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No