Information card for entry 7713421

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)([N]%13=Cc%14[n]%12c(C=[N]9[C@H]([C@@H]([N]%10=Cc9[n]%11c(ccc9)C=[N]8[C@H]([C@@H]%13c8ccccc8)c8ccccc8)c8ccccc8)c8ccccc8)ccc%14)[O]27)[N]2=Cc7[n]6c(C=[N]1[C@@H](c1ccccc1)[C@@H]([N]5=Cc1[n]3c(C=[N]4[C@@H](c3ccccc3)[C@@H]2c2ccccc2)ccc1)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: 15.7298 ± 0.0003 Å
• b: 16.3326 ± 0.0004 Å
• c: 47.7251 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12261 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No