Information card for entry 7128006

Structure parameters

• Chemical name: Ho(tppo)2(H2O)5Cl3 H2O
• Formula: C24 H60 Cl3 Ho N6 O8 P2
• Calculated formula: C24 H60 Cl3 Ho N6 O8 P2
• SMILES: [Ho]([OH2])([OH2])([OH2])([OH2])([OH2])([O]=P(N1CCCC1)(N1CCCC1)N1CCCC1)[O]=P(N1CCCC1)(N1CCCC1)N1CCCC1.[Cl-].[Cl-].[Cl-].O
• Title of publication: Enhancing the energy barrier and hysteresis temperature in two benchtop-stable Ho(iii) single-ion magnets.
• Authors of publication: Jia, Kexin; Meng, Xixi; Wang, Mengmeng; Gou, Xiaoshuang; Wang, Yu-Xia; Xu, Na; Shi, Wei; Cheng, Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 29
• Pages of publication: 3607 - 3610
• a: 9.9663 ± 0.0003 Å
• b: 26.937 ± 0.0009 Å
• c: 30.2924 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8132.4 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No