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Information card for entry 7118121
Preview
| Coordinates | 7118121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H132 Cl12 Cu4 Dy4 N28 O48 |
|---|---|
| Calculated formula | C84 H68 Cl10 Cu4 Dy4 N28 O48 |
| SMILES | C1c2cccc3[n]2[Dy]24567([N]([N]8[Cu]9(Cl)([n]%10c(cccc%10C%10=[N]9[N]9=Cc%11[n]%12c(ccc%11)C[OH][Dy]%11%13%149%12([n]9c(C[OH]%13)cccc9C=[N]%11[N]9=C(c%11[n]%12c(C%13=[N]([N]%15=Cc%16cccc%17C[OH][Dy]%18%19%20%15([n]%16%17)([N]([N]%15=C(O%19)c%16[n]%17c(ccc%16)C%16=[N]([N]%19=Cc%21[n]%22c(ccc%21)C[OH][Dy]%21%23%24%19%22([n]%19c(C[OH]%23)cccc%19C=[N]%21[N]%19=C(c%21[n]%22c(C(=[N]([N]5=C3)[Cu]%19%22(Cl)Cl)O6)ccc%21)O%24)(O%16)[OH2])[Cu]%15%17(Cl)Cl)=Cc3[n]%18c(ccc3)C[OH]%20)(O%13)[OH2])[Cu]9%12(Cl)Cl)ccc%11)O%14)(O%10)[OH2])C=8O7)Cl)=Cc3[n]2c(C[OH]4)ccc3)([OH]1)[OH2].O.O.O.O.[Cl-].O.O.O.O.O.O.O.O.O.O.[Cl-].O.O.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Constructing supramolecular grids: from 4f square to 3d-4f grid |
| Authors of publication | Jianfeng Wu; Lang Zhao; Mei Guo; Jinkui Tang |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 17317 |
| a | 19.3834 ± 0.0015 Å |
| b | 27.657 ± 0.002 Å |
| c | 15.3958 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8253.5 ± 1.1 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 59 |
| Hermann-Mauguin space group symbol | P m m n |
| Hall space group symbol | -P 2ab 2a |
| Residual factor for all reflections | 0.1814 |
| Residual factor for significantly intense reflections | 0.1311 |
| Weighted residual factors for significantly intense reflections | 0.3842 |
| Weighted residual factors for all reflections included in the refinement | 0.4479 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.727 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170729 (current) | 2015-12-04 | cif/ Adding structures of 7118121, 7118122, 7118123 via cif-deposit CGI script. |
7118121.cif |
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Users of the data should acknowledge the original authors of the
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