Information card for entry 7127109

Structure parameters

• Formula: C74 H66 N3 O14 P4 Yb
• Calculated formula: C74 H60 N3 O14 P4 Yb
• 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: 15.9815 ± 0.0004 Å
• b: 16.5996 ± 0.0003 Å
• c: 26.6002 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7056.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No