Information card for entry 7016704

Structure parameters

• Common name: 1.18H2O.18MeOH
• Formula: C102 H182 Cl2 Dy8 N24 O66
• Calculated formula: C84 H72 Cl2 Dy8 N24 O32
• SMILES: c12ccc3c4c5c(ccc6[n]5[Dy]5789%10([n]14)([N](=C2)[O]1[Dy]24%11%12([O]8[Dy]8%13%14%15%16([n]%17c(ccc%18c%17c%17[n]8c(ccc%17cc%18)C=[N]%14O[Dy]8%14%17([n]%18c(ccc%19c%18c%18c(ccc(C=[N]%17O%11)[n]8%18)cc%19)C=[N]%14O%10)([O]7%15)([O]92)([O]4%16)[OH2])C=[N]%13O%12)(O[N]5=C6)[OH2])([OH2])[O]2[N]4=Cc5ccc6c7c8c(ccc9[n]8[Dy]8%10%11%124([n]57)([N](O[Dy]457%13%14%15([n]%16c%17ccc%18c%16c%16[n]4c(ccc%16cc%18)C=[N]7O[Dy]47%16%18%19([n]%20c(ccc%21c%20c%20c(ccc(C=[N]%18O[Dy]12([O]%10%13)([O]%114)([O]%147)(O[N]5=C%17)[OH2])[n]%16%20)cc%21)C=[N]%19O%12)([O]8%15)[OH2])[OH2])=C9)[OH2])cc6)[OH2])cc3.[Cl-].O.O.[Cl-].O.O
• Title of publication: Two novel Dy(8) and Dy(11) clusters with cubane [Dy(4)(μ(3)-OH)(4)](8+) units exhibiting slow magnetic relaxation behaviour.
• Authors of publication: Miao, Yan-Li; Liu, Jun-Liang; Li, Jin-Yan; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 10229 - 10236
• a: 29.5071 ± 0.001 Å
• b: 27.3584 ± 0.0008 Å
• c: 19.4323 ± 0.0006 Å
• α: 90°
• β: 103.82 ± 0.003°
• γ: 90°
• Cell volume: 15232.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No