Information card for entry 7713422

Structure parameters

• Formula: C144 H126 B2 Cl2 Dy2 N18 O2
• Calculated formula: C132 H108 B2 Cl2 Dy2 N12 O2
• SMILES: [Dy]123456(Cl)([O]7[Dy]89%10%11%12(Cl)([O]17)[N]1=Cc7[n]%12c(C=[N]8[C@@H]([C@H]([N]%11=Cc8[n]%10c(ccc8)C=[N]9[C@@H]([C@H]1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)ccc7)[N]1=Cc7[n]6c(C=[N]2[C@H](c2ccccc2)[C@H]([N]5=Cc2[n]3c(C=[N]4[C@H](c3ccccc3)[C@H]1c1ccccc1)ccc2)c1ccccc1)ccc7.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1cc(ccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Peroxido-bridged chiral double-decker dysprosium macrocycles
• Authors of publication: Zhao, Chen; Wang, Tingting; Liu, Xiaodong; Zhu, Zhenhua; Ying, Xu; Li, Xiao-Lei; Tang, Jinkui
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.745 ± 0.0003 Å
• b: 16.324 ± 0.0004 Å
• c: 47.7781 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12280 ± 0.5 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: 0.0577
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No