Information card for entry 7718591

Structure parameters

• Common name: [Ho(TMPO)2(SCN)3(H2O)2]
• Formula: C27 H52 Ho N9 O10 P2 S3
• Calculated formula: C27 H52 Ho N9 O10 P2 S3
• 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: 10.0875 ± 0.0001 Å
• b: 13.1011 ± 0.0001 Å
• c: 17.1769 ± 0.0001 Å
• α: 69.675 ± 0.001°
• β: 73.77 ± 0.001°
• γ: 86.758 ± 0.001°
• Cell volume: 2041.81 ± 0.03 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No