Information card for entry 4330121

Structure parameters

• Formula: C60 H68 N9 Na3 O31 Tb3
• Calculated formula: C60 H59.001 N9 Na3 O31 Tb3
• Title of publication: Caging Peroxide: Anion-Templated Synthesis and Characterization of a Rare-Earth Cluster
• Authors of publication: William J. Gee; Jonathan G. MacLellan; Craig M. Forsyth; Boujemaa Moubaraki; Keith S. Murray; Philip C. Andrews; Peter C. Junk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8661 - 8663
• a: 20.8027 ± 0.0008 Å
• b: 20.8027 ± 0.0008 Å
• c: 58.306 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21851.6 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No