Information card for entry 4068452

Structure parameters

• Formula: C14 H28 B Cl3 F4 N2 P Ru0.5
• Calculated formula: C14 H28 B Cl3 F4 N2 P Ru0.5
• Title of publication: Water-Soluble Triisopropylphosphine Complexes of Ruthenium(II): Synthesis, Equilibria, and Acetonitrile Hydration
• Authors of publication: Martín, Marta; Horváth, Henrietta; Sola, Eduardo; Kathó, Ágnes; Joó, Ferenc
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 561
• a: 10.9787 ± 0.0009 Å
• b: 17.9817 ± 0.0014 Å
• c: 11.5691 ± 0.0009 Å
• α: 90°
• β: 106.921 ± 0.001°
• γ: 90°
• Cell volume: 2185 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No