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Information card for entry 2020775
Preview
| Coordinates | 2020775.cif |
|---|---|
| Structure factors | 2020775.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)magnesium(II)]bis[μ-<i>N</i>-(3-carboxyphenyl)-<i>N</i>'-(3-carboxylatophenyl)naphthalene-1,8:4,5-tetracarboximide-κ^2^<i>O</i>:<i>O</i>']] |
|---|---|
| Formula | C62 H40 Mg N6 O18 |
| Calculated formula | C62 H40 Mg N6 O18 |
| SMILES | [Mg]1([O]=CN(C)C)([O]=CN(C)C)([O]=C(O)c2cccc(c2)N2C(=O)c3c4c(C2=O)ccc2c4c(cc3)C(=O)N(C2=O)c2cccc(c2)C(=O)O[Mg]([O]=C(O)c2cccc(c2)N2C(=O)c3c4c(C2=O)ccc2c4c(cc3)C(=O)N(C2=O)c2cccc(c2)C(O1)=O)([O]=CN(C)C)[O]=CN(C)C)([O]=C(O)c1cccc(c1)N1C(=O)c2c3c(C1=O)ccc1c3c(cc2)C(=O)N(C1=O)c1cccc(c1)C(=O)[O-])OC(=[O])c1cccc(c1)N1C(=O)c2c3c(C1=O)ccc1c3c(cc2)C(=O)N(C1=O)c1cccc(c1)C(=O)O |
| Title of publication | Synthesis and characterization of a photochromic magnesium(II) coordination polymer based on a naphthalene diimide ligand |
| Authors of publication | Liu, Jian-Jun; Liu, Teng; Huang, Chang-Cang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 437 - 441 |
| a | 9.2595 ± 0.0004 Å |
| b | 10.2711 ± 0.0003 Å |
| c | 16.0049 ± 0.0005 Å |
| α | 96.056 ± 0.003° |
| β | 92.679 ± 0.003° |
| γ | 115.714 ± 0.004° |
| Cell volume | 1356.47 ± 0.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0747 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199069 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020775 via cif-deposit CGI script. |
2020775.cif 2020775.hkl |
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Users of the data should acknowledge the original authors of the
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