Information card for entry 4064820

Structure parameters

• Common name: (CF3PCP)(CF3PH)Ru2(u-H)(H)2
• Formula: C51 H43 F48 P8 Ru4
• Calculated formula: C51 H43 F48 P8 Ru4
• Title of publication: Acceptor Pincer Chemistry of Ruthenium: Catalytic Alkane Dehydrogenation by (CF3PCP)Ru(cod)(H)
• Authors of publication: Gruver, Brian C.; Adams, Jeramie J.; Warner, Seth J.; Arulsamy, Navamoney; Roddick, Dean M.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5133
• a: 10.4355 ± 0.0001 Å
• b: 18.1346 ± 0.0002 Å
• c: 37.1996 ± 0.0004 Å
• α: 90°
• β: 92.392 ± 0.001°
• γ: 90°
• Cell volume: 7033.65 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0602
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No