Information card for entry 4318125

Structure parameters

• Formula: C60 H120 Co1.58 Mg4.42 N12 O24
• Calculated formula: C60.032 H120 Co1.5804 Mg4.4 N12 O24
• Title of publication: Metal Ion Scrambling in Hexanuclear M6(Et2NCO2)12 Complexes (M = Co, Mg). Synthesis, Solid State Structure, and Solution Dynamics of Heteronuclear ConMg6-n(Et2NCO2)12 Complexes
• Authors of publication: M. Tyler Caudle; Jason B. Benedict; Charles K. Mobley; Nicholas A. Straessler; Thomas L. Groy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3183 - 3190
• a: 20.8064 ± 0.001 Å
• b: 25.1198 ± 0.0012 Å
• c: 16.4196 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8581.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.1555
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.689
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No