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Information card for entry 7006931
Preview
| Coordinates | 7006931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis-pyrazole bis-acetato zinc(ii) acetic acid solvate |
|---|---|
| Chemical name | bis-pyrazole bis-acetato zinc(ii) acetic acid solvate |
| Formula | C12 H18 N4 O6 Zn |
| Calculated formula | C12 H18 N4 O6 Zn |
| SMILES | [Zn](OC(=O)C)(OC(=O)C)([n]1[nH]ccc1)[n]1[nH]ccc1.O=C(O)C |
| Title of publication | The competition between acetate and pyrazolate in the formation of polynuclear Zn(II) coordination complexes. |
| Authors of publication | Cingolani, Augusto; Galli, Simona; Masciocchi, Norberto; Pandolfo, Luciano; Pettinari, Claudio; Sironi, Angelo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 20 |
| Pages of publication | 2479 - 2486 |
| a | 7.997 ± 0.001 Å |
| b | 8.294 ± 0.001 Å |
| c | 14.449 ± 0.001 Å |
| α | 99.1 ± 0.01° |
| β | 105.98 ± 0.01° |
| γ | 101.57 ± 0.01° |
| Cell volume | 879.14 ± 0.18 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179773 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/69. |
7006931.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006931.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006931.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006931.cif |
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Users of the data should acknowledge the original authors of the
structural data.