Information card for entry 7115067

Structure parameters

• Formula: C70 H109 F11 O P4 Ru
• Calculated formula: C70 H109 F11 O P4 Ru
• Title of publication: C‒F bond activation of perfluoroalkenes by ruthenium phosphine hydride complexes: X-ray crystal structures of cis-Ru(dmpe)2F(F‥HF) and [Ru(dcpe)2H]+[(CF3)2CC(O)CF2CF3]−
• Authors of publication: Kirkham, Matthew S.; Mahon, Mary F.; Whittlesey, Michael K.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 813
• a: 12.3863 ± 0.0003 Å
• b: 13.661 ± 0.0004 Å
• c: 21.907 ± 0.0006 Å
• α: 106.14 ± 0.002°
• β: 93.171 ± 0.002°
• γ: 93.832 ± 0.002°
• Cell volume: 3542.23 ± 0.17 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No