Information card for entry 7133876

Structure parameters

• Chemical name: tBu1Tb_R-PEA
• Formula: C108 H153 N9 O6 Tb2
• Calculated formula: C108 H153 N9 O6 Tb2
• Title of publication: Circularly polarized luminescence induction on Tb(III) complex with tris(o-tert-butylaryloxide)-functionalized 1,4,7-triazacyclononane ligand coordinating chiral 1-phenylethylamine
• Authors of publication: Shirai, Sora; Muratsugu, Satoshi; Matsui, Hisaki; Harada, Kazuhiro; Ehara, Masahiro; Nakai, Hidetaka; Tada, Mizuki
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 12.552 ± 0.0002 Å
• b: 36.55 ± 0.0004 Å
• c: 21.8477 ± 0.0003 Å
• α: 90°
• β: 100.864 ± 0.001°
• γ: 90°
• Cell volume: 9843.5 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No