Information card for entry 7125114

Structure parameters

• Formula: C60 H93 Cd3 Ce I6 N6 O11 P2
• Calculated formula: C60 H93 Cd3 Ce I6 N6 O11 P2
• Title of publication: Unprecedented hexagonal bipyramidal single-ion magnets based on metallacrowns.
• Authors of publication: Li, Quan-Wen; Wan, Rui-Chen; Chen, Yan-Cong; Liu, Jun-Liang; Wang, Long-Fei; Jia, Jian-Hua; Chilton, Nicholas F.; Tong, Ming-Liang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 91
• Pages of publication: 13365 - 13368
• a: 26.1665 ± 0.0013 Å
• b: 15.2608 ± 0.0008 Å
• c: 23.2073 ± 0.001 Å
• α: 90°
• β: 114.863 ± 0.001°
• γ: 90°
• Cell volume: 8408.3 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No