Information card for entry 7022539

Structure parameters

• Formula: C96 H84 Ho4 N12 O12
• Calculated formula: C96 H84 Ho4 N12 O12
• SMILES: c12ccccc1C=[N]1CC[N]3=Cc4c(O[Ho]567813[N](CC[N]5=Cc1ccccc1[O]8[Ho]1358([N](=Cc9c(O3)cccc9)CC[N]1=Cc1ccccc1[O]5[Ho]1359([N](=Cc%10c(O5)cccc%10)CC[N]1=Cc1ccccc1[O]89)[O]1c5ccccc5C=[N]5CC[N]8=Cc9ccccc9O[Ho]9%10%11158[N](=Cc1c(O%10)cccc1)CC[N]9=Cc1ccccc1[O]3%11)[O]26)=Cc1c(O7)cccc1)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: 13.4575 ± 0.0004 Å
• b: 13.9789 ± 0.0004 Å
• c: 15.7353 ± 0.0005 Å
• α: 68.973 ± 0.001°
• β: 78.816 ± 0.001°
• γ: 63.323 ± 0.001°
• Cell volume: 2466.99 ± 0.13 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: 0.0386
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No