Information card for entry 7127111

Structure parameters

• Formula: C74 H66 Br0.47 Cl0.62 I3.91 O5 P4 Yb
• Calculated formula: C74 H63 Br0.469 Cl0.622 I3.909 O5 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: 13.9941 ± 0.0002 Å
• b: 15.4903 ± 0.0003 Å
• c: 17.781 ± 0.0004 Å
• α: 89.738 ± 0.002°
• β: 84.044 ± 0.002°
• γ: 80.588 ± 0.001°
• Cell volume: 3781.72 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No