Information card for entry 7229306

Structure parameters

• Formula: C70 H94 N8 O23 Sm6
• Calculated formula: C70 H94 N8 O23 Sm6
• SMILES: [N]12=Cc3c4[O]5[Sm]6789%101[O]1%11[Sm]%12%13%14%15%165[N]5=Cc%17c(c(cc(c%17)C)C=[N]6C[C@@H]([O]8[Sm]68%17%18([O]%19[C@H](C[N]%20=Cc%21c%22c(cc(c%21)C)C=[N]%21C[C@H]([O]%23%15[Sm]%15%24%25([O]%14([C@@H](C5)C)[Sm]5%14%261%21%23[N](=Cc1c%21[O]%14[Sm]%14%11%19%20([N](=Cc%21cc(c1)C)C[C@H]([O]%108%14)C)([O]%225)[O]96[C@@H](C2)C)C[C@@H]([O]%15%26)C)([O]%16[C@H](C[N]%12=Cc4cc(c3)C)C)([O]=C(O%24)C)[O]=C(O%25)C)C)C)([O]=C(C)O%17)[O]=C(C)O%18)C)[O]7%13.CO.CO
• 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: 18.6094 ± 0.0011 Å
• b: 17.218 ± 0.001 Å
• c: 25.339 ± 0.0014 Å
• α: 90°
• β: 92.634 ± 0.001°
• γ: 90°
• Cell volume: 8110.5 ± 0.8 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No