Information card for entry 7711491

Structure parameters

• Formula: C136 H116 B2 Cl8 Dy2 F4 N12
• Calculated formula: C136 H116 B2 Cl8 Dy2 F4 N12
• Title of publication: Air-stable chiral double-decker Dy(III) macrocycle with fluoride ion as sole axial ligand
• Authors of publication: Liu, Xiaodong; Zhao, Chen; Wu, Jinjiang; Zhu, Zhenhua; Tang, Jinkui
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 17.2123 ± 0.0005 Å
• b: 25.8184 ± 0.0006 Å
• c: 27.5581 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12246.7 ± 0.6 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No