Information card for entry 4309984

Structure parameters

• Chemical name: [(PCP-C=CHPh)Ru(CO)][BAr'4]
• Formula: C66 H63 B Cl2 F24 O P2 Ru
• Calculated formula: C65 H61 B F24 O P2 Ru
• Title of publication: Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4= 3,5-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene
• Authors of publication: Jubo Zhang; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Cynthia S. Day
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8379 - 8390
• a: 24.883 ± 0.003 Å
• b: 15.9623 ± 0.0018 Å
• c: 17.93 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7121.6 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No