Information card for entry 7022538

Structure parameters

• Formula: C96 H84 Dy4 N12 O12
• Calculated formula: C96 H84 Dy4 N12 O12
• SMILES: c12ccccc1C=[N]1CC[N]3=Cc4c(O[Dy]567813[N](=Cc1c(O7)cccc1)CC[N]5=Cc1ccccc1[O]8[Dy]1357([O]26)Oc2ccccc2C=[N]3CC[N]5=Cc2ccccc2[O]1[Dy]1235([N](=Cc6c(O3)cccc6)CC[N]1=Cc1ccccc1[O]75)[O]1c3ccccc3C=[N]3CC[N]5=Cc6ccccc6O[Dy]678135[N](=Cc1c(O8)cccc1)CC[N]7=Cc1ccccc1[O]26)cccc4
• Title of publication: Synthesis, structures and magnetic characterizations of isostructural tetranuclear Ln4 clusters (Ln = Dy, Ho, and Eu).
• Authors of publication: Koo, Bong Ho; Lim, Kwang Soo; Ryu, Dae Won; Lee, Woo Ram; Koh, Eui Kwan; Hong, Chang Seop
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 7204 - 7209
• a: 13.4782 ± 0.0004 Å
• b: 14.0136 ± 0.0004 Å
• c: 15.7024 ± 0.0004 Å
• α: 69.421 ± 0.001°
• β: 79.184 ± 0.001°
• γ: 63.089 ± 0.001°
• Cell volume: 2474.46 ± 0.12 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: 0.0452
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No