Information card for entry 7041031

Structure parameters

• Formula: C87 H66 Dy2 N6 O9
• Calculated formula: C87 H66 Dy2 N6 O9
• SMILES: [Dy]123456([O]7[Dy]89%10(Oc%11c(c%12ccccc%12cc%11)C=[N]8c8ccccc8[N]9=Cc8c(O%10)ccc9ccccc89)([O]1c1c(c8ccccc8cc1)C=[N]2c1ccccc1[N]3=Cc1c7ccc2ccccc12)[OH]C)Oc1c(c2ccccc2cc1)C=[N]5c1ccccc1[N]6=Cc1c(O4)ccc2ccccc12.OC.OC
• Title of publication: Building 1D lanthanide chains and non-symmetrical [Ln2] "triple-decker" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.
• Authors of publication: Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18591 - 18602
• a: 10.328 ± 0.004 Å
• b: 17.582 ± 0.005 Å
• c: 18.751 ± 0.006 Å
• α: 82.66 ± 0.03°
• β: 85.97 ± 0.03°
• γ: 82.48 ± 0.03°
• Cell volume: 3343 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No