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Information card for entry 2202192
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| Coordinates | 2202192.cif |
|---|---|
| Structure factors | 2202192.hkl |
| Original IUCr paper | HTML |
| Formula | C28 H30 N4 O10 Zn |
|---|---|
| Calculated formula | C28 H30 N4 O10 Zn |
| SMILES | C(=O)([O-])/C=C/C(=O)[O-].[n]12[Zn]3([n]4c5c2c(ccc1)ccc5ccc4)([n]1cccc2c1c1[n]3cccc1cc2)([OH2])[OH2].O.O.O.O |
| Title of publication | An aquazinc(II) complex of 1,10-phenanthroline with fumarate counter-ions |
| Authors of publication | Jin Yang; Jian-Fang Ma; Jing-Fu Liu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 6 |
| Pages of publication | m324 - m326 |
| a | 10.481 ± 0.002 Å |
| b | 10.597 ± 0.002 Å |
| c | 13.568 ± 0.003 Å |
| α | 97.12 ± 0.03° |
| β | 93.55 ± 0.03° |
| γ | 105.38 ± 0.03° |
| Cell volume | 1434.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.036 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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