Information card for entry 4077316

Structure parameters

• Formula: C68.5 H59 Cl2 N O2 P4 Ru
• Calculated formula: C68.5 H59 Cl2 N O2 P4 Ru
• Title of publication: Organometallic Complexes for Nonlinear Optics. 22.1Quadratic and Cubic Hyperpolarizabilities oftrans-Bis(bidentate phosphine)ruthenium σ-Arylvinylidene and σ-Arylalkynyl Complexes
• Authors of publication: Hurst, Stephanie K.; Cifuentes, Marie P.; Morrall, Joseph P. L.; Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.; Asselberghs, Inge; Persoons, André; Samoc, Marek; Luther-Davies, Barry; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 22
• Pages of publication: 4664
• a: 12.828 ± 0.002 Å
• b: 13.39 ± 0.002 Å
• c: 18.949 ± 0.002 Å
• α: 88.9 ± 0.01°
• β: 85 ± 0.01°
• γ: 63.493 ± 0.009°
• Cell volume: 2900.9 ± 0.7 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections: 1.551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.669
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No