Information card for entry 7718068

Structure parameters

• Formula: C36 H21 Br12 N4 O6 Tm
• Calculated formula: C36 H21 Br12 N4 O6 Tm
• Title of publication: Redox, spectroscopic and magnetic properties of <i>C</i>₃-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.
• Authors of publication: Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5061 - 5074
• a: 13.0916 ± 0.0001 Å
• b: 13.0916 ± 0.0001 Å
• c: 46.0882 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6840.78 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No