Information card for entry 7133875

Structure parameters

• Chemical name: tBu1Tb
• Formula: C15 H22.33 N1.33 O1.33 Tb0.33
• Calculated formula: C14.9999 H22.3331 N1.3333 O1.33333 Tb0.333333
• Title of publication: Circularly polarized luminescence induction on a Tb(III) complex with a tris(<i>o-tert</i>-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 (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 96
• Pages of publication: 14180 - 14183
• a: 13.9426 ± 0.0003 Å
• b: 13.9426 ± 0.0003 Å
• c: 39.401 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6633.2 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No