Information card for entry 4324988

Structure parameters

• Formula: C60 H288 Cl5 Cu24 Dy6 N25 Na12 O207
• Calculated formula: C60 H66 Cl Cu24 Dy6 N20 Na12 O144
• SMILES: [Dy]123456([O]7[Cu]89%10[N](CC(=O)O8)=C(C)C7=[O][Cu]78%11[O]4[Cu]4%12%13[O]5[Cu]5%14%15[O]3[Cu]3([O]=C%16C(=[N]%17[Cu](OC(=O)C%17)([O]1%16)([O]29)O%10)C)([O]67)[O]1[Cu]267[O]9[Dy]%10%16%17%18([O]%19[Cu]%20%21%22[N](CC(=O)O%20)=C(C)C%19=[O][Cu]%19%20([O]8%17)[O]%18[Cu]89([O]=C9C(=[N]%17[Cu](OC(=O)C%17)([O]%109)([O]%16%21)O%22)C)[O]9[Cu]%10%16%17[O]%18[Dy]%21%22%23([O]%24[Cu]%25%26([N](CC(=O)O%25)=C(C)C%24=[O]4)[O]%22[Cu]4%22([N](CC(=O)O4)=C(C)C([O]%21%22)=[O][Cu]4%18([O]%13%23)[O]%14[Dy]%13%14%18%21%22([O]%23[Cu]%24%25([N](CC(=O)O%24)=C(C)C%23=[O][Cu]%23%24([O]%18[Cu]%18%27([O]4%21)[O]=C4C(=[N]%21[Cu]%28%29(OC(=O)C%21)[O]4[Dy]4%219([O]9[Cu]%30([N](CC(=O)O%30)=C(C)C9=[O]%16)([O]%284)O%29)([O]%18[Cu]49([O]=C%16C(=[N]%18[Cu]%28%29(OC(=O)C%18)[O]%16[Dy]%161([O]1[Cu]%18([N](CC(=O)O%18)=C(C)C1=[O]6)([O]%28%16)O%29)([O]%234)([O]3%24)([O]79)([OH2])[OH2])C)[O]8%21)([O]%17%27)([OH2])[OH2])C)[O]%15%22)[O]%14[Cu]13([N](CC(=O)O1)=C(C)C([O]%133)=[O]5)O%25)([OH2])[OH2])O%26)([O]%12%19)([O]%20%10)([OH2])[OH2])([O]%112)([OH2])[OH2])([OH2])[OH2].[Na+].[Na+].[Cl-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.[Na+].[Na+].N(=O)(=O)[O-].O.O.O.O.[Na+].[Na+].N(=O)(=O)[O-].O.O.O.O.[Na+].[Na+].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.[Na+].[Na+].N(=O)(=O)[O-].O.O.O.O.[Na+].[Na+].N(=O)(=O)[O-].O.O.O.O
• Title of publication: Two Three-Dimensional 2p-3d-4f Heterometallic Frameworks Featuring a Ln6Cu24Na12 Cluster as a Node
• Authors of publication: Gui-Lin Zhuang; Wen-Xian Chen; Hai-Xia Zhao; Xiang-Jian Kong; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3843 - 3845
• a: 29.4923 ± 0.0004 Å
• b: 29.4923 ± 0.0004 Å
• c: 36.1205 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27208.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No