Information card for entry 7039303

Structure parameters

• Formula: C118 H150 Dy8 N26 O48
• Calculated formula: C118 H142 Dy8 N26 O48
• SMILES: c12c3cccc1ccc1[n]2[Dy]2456([N](=C1)N=C1[O]6[Dy]6789%10([n]%11c%12c(O9)cccc%12ccc%11C=[N]6N=C6[O]%10[Dy]9%10%11%12%13([N](=Cc%14[n]%10c%10c(O%13)cccc%10cc%14)[N]%10=C(c%13c(ccc[n]2%13)O[Dy]2%13%14%10([O]%10[Dy]%15%16%17%18%19%20([n]%21c%22c(O%19)cccc%22ccc%21C=[N]%15N=C%15[O]%20[Dy]%19%20%21%22%10([n]%10c%23c(O%20)cccc%23ccc%10C=[N]%21[N]%10=C%20c%21c(ccc[n]%21[Dy]%21%23%24([n]%25c%26c(cccc%26ccc%25C=[N]%21N=C([O]%17%24)c%17ncccc%17O%18)O%23)([O]%16%19)([O]%22%20)[OH]C)O[Dy]%10([O]8%11)([O]%12c8c6nccc8)([O]%13C)([O]%14C)[OH]C)([O]2c2c%15nccc2)[OH]C)[OH2])[OH]C)[O]49)([O]57)[OH]C)(Oc2c1nccc2)[OH2])(O3)[OH]C.CO.CO.CO.CO.CO.C(#N)C.O.O.O.CO.CO.CO.CO.CO.C(#N)C.O.O.O
• Title of publication: Single-molecule magnet behavior in an octanuclear dysprosium(iii) aggregate inherited from helical triangular Dy3 SMM-building blocks.
• Authors of publication: Zhang, Li; Zhang, Peng; Zhao, Lang; Wu, Jianfeng; Guo, Mei; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10556 - 10562
• a: 14.8119 ± 0.0007 Å
• b: 15.4709 ± 0.0007 Å
• c: 18.0346 ± 0.0008 Å
• α: 70.905 ± 0.001°
• β: 68.986 ± 0.001°
• γ: 82.58 ± 0.001°
• Cell volume: 3645.2 ± 0.3 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No