Information card for entry 7229305

Structure parameters

• Formula: C64 H92 Dy6 N12 O29
• Calculated formula: C64 H92 Dy6 N12 O29
• SMILES: [Dy]1234567[N]8=Cc9c%10[O]4[Dy]4%11%12%13%14%15[N](=Cc%10cc(c9)C)C[C@H]([O]9%13[Dy]%10%13%16%17%18%19[N]%20=Cc%21c%22[O]%16[Dy]%16%23%24%25%26([N](=Cc%22cc(c%21)C)C[C@H]([O]3%23[Dy]3%21%22([O]%25[C@H](C[N]%16=Cc%16c([O]%18%24)c(cc(c%16)C)C=[N]%10C[C@H]([O]%12%19[Dy]%10%129([O]%17[C@H](C%20)C)([O]%15[C@H](C[N]4=Cc4c([O]6%14)c(cc(c4)C)C=[N]1C[C@H]([O]7%263)C)C)(ON(=[O]%10)=O)[O]=N(=O)O%12)C)C)([O]5[C@H](C8)C)(ON(=[O]%21)=O)[O]=N(=O)O%22)C)[O]2%11%13)C.OC.OC.OC.OC
• Title of publication: The effect of additional methyl on the magnetic relaxation and toroidal moment of Dy6 complex
• Authors of publication: Lin, Shuang-Yan; Wu, Jianfeng; Xu, Zhikun
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 75
• Pages of publication: 47520
• a: 12.4459 ± 0.0005 Å
• b: 13.8185 ± 0.0005 Å
• c: 25.2852 ± 0.001 Å
• α: 82.073 ± 0.001°
• β: 81.87 ± 0.001°
• γ: 75.4 ± 0.001°
• Cell volume: 4142.1 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No