Information card for entry 7718592

Structure parameters

• Common name: [Dy(TMPO)2(SCN)3(H2O)2][Dy(TMPO)2(SCN)2(H2O)3](SCN)(H2O)2
• Formula: C54 H110 Dy2 N18 O23 P4 S6
• Calculated formula: C54 H110 Dy2 N18 O23 P4 S6
• Title of publication: Synergistic construction of highly symmetrical lanthanide single-ion magnets using neutral phosphoryl and anionic thiocyanate ligands.
• Authors of publication: Liu, Bei; Dong, Xiao-Yan; Gong, Hui-Wen; Sun, Zheng; Sun, Rong; Zhu, Wen-Hua; Zhang, Lei; Sun, Hao-Ling; Zhao, Man-Yun; Huang, Ning-Ning; Bian, Qing-Yan; Gao, Song
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 9039 - 9048
• a: 19.717 ± 0.0004 Å
• b: 24.9048 ± 0.0005 Å
• c: 17.7571 ± 0.0003 Å
• α: 90°
• β: 103.526 ± 0.002°
• γ: 90°
• Cell volume: 8477.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No