Information card for entry 7128007

Structure parameters

• Formula: C24 H60 Br3 Ho N6 O8 P2
• Calculated formula: C24 H60 Br3 Ho N6 O8 P2
• SMILES: [Ho]([O]=P(N1CCCC1)(N1CCCC1)N1CCCC1)([O]=P(N1CCCC1)(N1CCCC1)N1CCCC1)([OH2])([OH2])([OH2])([OH2])[OH2].[Br-].[Br-].[Br-].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: 10.0871 ± 0.0003 Å
• b: 26.8701 ± 0.0008 Å
• c: 30.9089 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8377.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0822
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No