Information card for entry 4324987

Structure parameters

• Formula: C60 H288 Cl5 Cu24 Gd6 N25 Na12 O207
• Calculated formula: C60 H84 Cl Cu24 Gd6 N20 Na12 O144
• SMILES: C1(=O)C[NH]2[C@H](C)C3[O]4[Cu]52(O1)([O]1[Cu]26([NH](CC(=O)O2)[C@H](C2[O]6[Gd]67841([O]1[Cu]49%10[O]8[Cu]8%11%12[O]6[Cu]6%13([O]=3)[O]7[Cu]31([O]=2)[O]1[Cu]27%14[O]%15[Gd]%16%17%18%19([O]%20C%21[C@@H](C)[NH]%22CC(=O)O[Cu]%23%20%22([O]%17[Cu]%17%20([NH](CC(=O)O%17)[C@@H](C)C([O]%16%20)=[O][Cu]%16%17%15[O]%19[Cu]%15([O]=%21)([O]%11[Gd]%11%19%20%21%22([O]%24C([C@@H](C)[NH]%25CC(=O)O[Cu]%26%24%25([O]%19[Cu]%19%24([NH](CC(=O)O%19)[C@@H](C)C([O]%11%24)=[O][Cu]%11%19([O]%20[Cu]%20%24([O]%15%21)[O]=C%15[C@@H](C)[NH]%21CC(=O)O[Cu]%25%27%21([O]%15[Gd]%15%21%28%29([O]%30C([C@H](C)[NH]%31CC(=O)O[Cu]%30%31([O]%25%15)([OH2])O%27)=[O][Cu]%15%25([O]%21[Cu]%21%27([O]=C%30[C@H](C)[NH]%31CC(=O)O[Cu]%32%33%31([O]%30[Gd]%30%311([O]1C([C@@H](C)[NH]%34CC(=O)O[Cu]1%34([O]%32%30)([OH2])O%33)=[O]7)([O]%21[Cu]17([O]=C%21[C@H](C)[NH]%30CC(=O)O[Cu]%32%33%30([O]%21[Gd]%21([O]%30C([C@@H](C)[NH]%34CC(=O)O[Cu]%30%34([O]%32%21)([OH2])O%33)=[O]4)([O]9%11)([O]%151)([O]%19%25)([O]%107)([OH2])[OH2])[OH2])[O]3%31)([O]%14%27)([OH2])[OH2])[OH2])[O]%17%28)[O]%24%29)([O]%16%20)([OH2])[OH2])[OH2])[O]%12%22)([OH2])O%26)[OH2])=[O]8)([OH2])[OH2])[O]6%18)([OH2])O%23)[OH2])([O]%132)([OH2])[OH2])([OH2])[OH2])C)([OH2])O5)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].[Cl-].O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.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: 29.5532 ± 0.0004 Å
• b: 29.5532 ± 0.0004 Å
• c: 36.1951 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27377.2 ± 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: 0.1073
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No