Information card for entry 4310031

Structure parameters

• Chemical name: [(PCP)Ru(CO)(ClCH2Cl)][BAr'4]
• Formula: C58 H57 B Cl2 F24 O P2 Ru
• Calculated formula: C58 H57 B Cl2 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: 13.435 ± 0.0004 Å
• b: 13.5298 ± 0.0004 Å
• c: 17.9662 ± 0.0005 Å
• α: 98.7273 ± 0.0011°
• β: 106.331 ± 0.001°
• γ: 94.8176 ± 0.0011°
• Cell volume: 3069.99 ± 0.16 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 1.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No