Information card for entry 7713031

Structure parameters

• Formula: C69 H69 B3 N21 O6 Tb
• Calculated formula: C69 H69 B3 N21 O6 Tb
• Title of publication: Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.
• Authors of publication: Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 21.6423 ± 0.0009 Å
• b: 21.6423 ± 0.0009 Å
• c: 25.7873 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10460.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No