Information card for entry 4101876

Structure parameters

• Formula: C29 H32 Cl F12 N6 P2 Ru
• Calculated formula: C29 H32 Cl F12 N6 P2 Ru
• Title of publication: Selective para-Halogenation and Dimerization of N,C,N'-Arylruthenium(II) and -(III) 2,2':6',2''-Terpyridine Cations
• Authors of publication: Sipke H. Wadman; Remco W. A. Havenith; Martin Lutz; Anthony L. Spek; Gerard P. M. van Klink; Gerard van Koten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1914 - 1924
• a: 47.7085 ± 0.0002 Å
• b: 81.9437 ± 0.0004 Å
• c: 10.5045 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41066.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No