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Information card for entry 2206974
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| Coordinates | 2206974.cif |
|---|---|
| Structure factors | 2206974.hkl |
| Original IUCr paper | HTML |
| Chemical name | trans-Bis(isoquinoline-3-carboxylato-κ^2^N,O)bis(methanol-κO)zinc(II) |
|---|---|
| Formula | C22 H20 N2 O6 Zn |
| Calculated formula | C22 H20 N2 O6 Zn |
| SMILES | c12cc3ccccc3c[n]1[Zn]1(OC2=O)([OH]C)([n]2c(cc3ccccc3c2)C(=O)O1)[OH]C |
| Title of publication | <i>trans</i>-Bis(isoquinoline-3-carboxylato-κ^2^<i>N</i>,<i>O</i>)bis(methanol-κ<i>O</i>)zinc(II) |
| Authors of publication | Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | m1946 - m1947 |
| a | 10.672 ± 0.001 Å |
| b | 6.301 ± 0.002 Å |
| c | 15.091 ± 0.001 Å |
| α | 90° |
| β | 100.567 ± 0.009° |
| γ | 90° |
| Cell volume | 997.6 ± 0.3 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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