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Information card for entry 2237649
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| Coordinates | 2237649.cif |
|---|---|
| Structure factors | 2237649.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[bis(4-pyridinealdoxime-κ<i>N</i>^1^)zinc]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] 4-pyridinealdoxime monosolvate] |
|---|---|
| Formula | C26 H22 N6 O7 Zn |
| Calculated formula | C26 H22 N6 O7 Zn |
| SMILES | [Zn](OC(=O)c1ccc(cc1)C(=O)[O-])([n]1ccc(cc1)/C=N/O)([n]1ccc(cc1)/C=N/O)OC(=O)c1ccc(cc1)C(=O)O[Zn]([n]1ccc(cc1)/C=N/O)[n]1ccc(cc1)/C=N/O.O/N=C/c1ccncc1.O/N=C/c1ccncc1 |
| Title of publication | <i>catena</i>-Poly[[[bis(4-pyridinealdoxime-κ<i>N</i>^1^)zinc]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] 4-pyridinealdoxime monosolvate] |
| Authors of publication | Kumagai, Hitoshi; Kawata, Satoshi; Sakamoto, Yoshiyuki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | m216 |
| a | 7.583 ± 0.003 Å |
| b | 15.831 ± 0.006 Å |
| c | 21.906 ± 0.008 Å |
| α | 90° |
| β | 98.516 ± 0.003° |
| γ | 90° |
| Cell volume | 2600.7 ± 1.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0296 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181298 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/76. |
2237649.cif 2237649.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237649.cif 2237649.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237649.cif 2237649.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237649.cif 2237649.hkl |
| 85389 | 2013-05-07 | cif/ Adding structures of 2237649 via cif-deposit CGI script. |
2237649.cif |
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