Information card for entry 7127110

Structure parameters

• Formula: C152 H126 F18 O27 P8 S6 Yb2
• Calculated formula: C152 H120 F18 O27 P8 S6 Yb2
• Title of publication: Enhancing the barrier height for Yb(III) single-ion magnets by modulating axial ligand fields.
• Authors of publication: Borah, Aditya; Dey, Sourav; Gupta, Sandeep K.; Walawalkar, Mrinalini G.; Rajaraman, Gopalan; Murugavel, Ramaswamy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 79
• Pages of publication: 11879 - 11882
• a: 13.6979 ± 0.0002 Å
• b: 14.633 ± 0.0002 Å
• c: 19.8834 ± 0.0002 Å
• α: 94.599 ± 0.001°
• β: 108.159 ± 0.001°
• γ: 90.614 ± 0.001°
• Cell volume: 3772.09 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0394
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No