Information card for entry 7040025

Structure parameters

• Common name: [RuAu]_B
• Formula: C64 H70 Au4 Cl11 N10 O Ru
• Calculated formula: C64 H70 Au4 Cl11 N10 O Ru
• Title of publication: π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex.
• Authors of publication: Sorsche, Dieter; Schaub, Markus; Heinemann, Frank W.; Habermehl, Johannes; Kuhri, Susanne; Guldi, Dirk; Guthmuller, Julien; Rau, Sven
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12846 - 12853
• a: 11.2792 ± 0.0014 Å
• b: 15.2758 ± 0.0019 Å
• c: 23.259 ± 0.003 Å
• α: 78.519 ± 0.002°
• β: 78.669 ± 0.002°
• γ: 68.62 ± 0.002°
• Cell volume: 3623.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No