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Information card for entry 4324987
Preview
Coordinates | 4324987.cif |
---|---|
Original paper (by DOI) | HTML |
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 Å3 |
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 |
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The link is: https://www.crystallography.net/4324987.html
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