Information card for entry 4313717

Structure parameters

• Formula: C46 H52 Cl7 Li N3 O7.5 Ru3
• Calculated formula: C46 H49 Cl7 Li N3 O7.5 Ru3
• Title of publication: Electronic Effects in 12-Metallacrown-3 Complexes. A Theoretical and Experimental Study
• Authors of publication: Marie-Line Lehaire; Axel Schulz; Rosario Scopelliti; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3576 - 3581
• a: 20.041 ± 0.003 Å
• b: 16.332 ± 0.003 Å
• c: 33.167 ± 0.004 Å
• α: 90°
• β: 106.455 ± 0.011°
• γ: 90°
• Cell volume: 10411 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No