Information card for entry 7107958

Structure parameters

• Formula: C109 H99 Cl3 Dy4 N26 O34
• Calculated formula: C109 H90 Cl3 Dy4 N26 O34
• SMILES: Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Dy]12345678[N](=Cc9c([O]3[Dy]3%10%11%12%13%14([N](=Cc%15c([O]6%10)cccc%15)NC(=[O]3)c3ccncc3)[N](=Cc3c([O]%12[Dy]6%10%12%15%16%17([N](=Cc%18c([O]%13%10)cccc%18)NC(=[O]6)c6ccncc6)[N](NC(=[O]%12)c6ccncc6)=Cc6c([O]%15[Dy]%10%12%13%15([N](=Cc%18c([O]%16%12)cccc%18)NC(=[O]%10)c%10ccncc%10)([N](=Cc%10c([O]7%15)cccc%10)NC(=[O]%13)c7ccncc7)([O]5c5c(C=[N]1NC(=[O]4)c1ccncc1)cccc5)[O]8%14%17)cccc6)cccc3)NC(=[O]%11)c1ccncc1)cccc9)NC(=[O]2)c1ccncc1.N#CC.N#CC.OC.O.O.O.O
• Title of publication: Field enhanced thermally activated mechanism in a square Dy4 aggregate
• Authors of publication: Shufang Xue; Lang Zhao; Yun-Nan Guo; Xiao-Hua Chen; Jinkui Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7031
• a: 20.1187 ± 0.0008 Å
• b: 27.8381 ± 0.0011 Å
• c: 21.6131 ± 0.0009 Å
• α: 90°
• β: 103.734 ± 0.001°
• γ: 90°
• Cell volume: 11758.7 ± 0.8 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No