Information card for entry 1558024

Structure parameters

• Formula: C126 H53 Dy2 N4 Ni S2
• Calculated formula: C126 H53 Dy1.997 N4 Ni S2
• Title of publication: Dy₂@C₇₉N: a new member of dimetalloazafullerenes with strong single molecular magnetism.
• Authors of publication: Wang, Yuanyuan; Xiong, Jin; Su, Jie; Hu, Ziqi; Ma, Fang; Sun, Rong; Tan, Xueyou; Sun, Hao-Ling; Wang, Bing-Wu; Shi, Zujin; Gao, Song
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 11130 - 11135
• a: 17.7314 ± 0.0002 Å
• b: 17.0501 ± 0.0002 Å
• c: 26.7696 ± 0.0004 Å
• α: 90°
• β: 106.599 ± 0.001°
• γ: 90°
• Cell volume: 7755.79 ± 0.18 ų
• Cell temperature: 180 ± 0.11 K
• Ambient diffraction temperature: 180 ± 0.11 K
• Number of distinct elements: 6
• 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: 0.1147
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.2171
• Weighted residual factors for all reflections included in the refinement: 0.2242
• 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: No
• Has Fobs: No