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Information card for entry 2019727
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| Coordinates | 2019727.cif |
|---|---|
| Structure factors | 2019727.hkl |
| Original IUCr paper | HTML |
| Common name | Di(4-pyridinealdoxime)[pyridine-2,6-dicarboxylato-k2O2,N,O6]-zinc(II) |
|---|---|
| Chemical name | (Pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)bis[<i>N</i>-\ (pyridin-4-ylmethylidene)hydroxylamine-κ<i>N</i>^1^]zinc(II) |
| Formula | C19 H15 N5 O6 Zn |
| Calculated formula | C19 H15 N5 O6 Zn |
| SMILES | c1cc(cc[n]1[Zn]12([n]3c(C(=O)O1)cccc3C(=O)O2)[n]1ccc(cc1)/C=N/O)/C=N/O |
| Title of publication | Two Zn^II^ mononuclear coordination compounds with pyridinedicarboxylate and auxiliary <i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine ligands |
| Authors of publication | Coropceanu, Eduard B.; Dreab, Ana; Croitor, Lilia |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| a | 6.7644 ± 0.0002 Å |
| b | 18.5124 ± 0.0005 Å |
| c | 15.3595 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1923.4 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019727.cif 2019727.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019727.cif 2019727.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019727.cif 2019727.hkl |
| 126574 | 2014-11-07 | cif/ hkl/ Adding structures of 2019726, 2019727 via cif-deposit CGI script. |
2019727.cif 2019727.hkl |
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