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Information card for entry 2019578
Preview
| Coordinates | 2019578.cif |
|---|---|
| Structure factors | 2019578.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate] |
|---|---|
| Formula | C38 H34 Co N2 O14 |
| Calculated formula | C38 H34 Co N2 O14 |
| SMILES | [Co](OC(=O)c1ccccc1Oc1ccc(cc1)C(=O)O)([OH2])(OC(=O)c1ccccc1Oc1ccc(cc1)C(=O)O)([OH2])[n]1ccc(cc1)c2cc[n](cc2)[Co](OC(=O)c3ccccc3Oc3ccc(cc3)C(=O)O)(OC(=O)c3ccccc3Oc3ccc(cc3)C(=O)O)([OH2])([OH2])[n]3ccc(cc3)c2ccncc2.O.O.O.O |
| Title of publication | A one-dimensional cobalt(II) coordination polymer based on 2,4'-oxydibenzoic acid: poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate] |
| Authors of publication | Tang, Long; Fu, Feng; Wang, Ji-Jiang; Liu, Qi-Rui; Zhao, Hang-Hang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | 654 - 658 |
| a | 12.3557 ± 0.001 Å |
| b | 11.3518 ± 0.0009 Å |
| c | 13.6847 ± 0.0011 Å |
| α | 90° |
| β | 107.283 ± 0.001° |
| γ | 90° |
| Cell volume | 1832.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019578.cif 2019578.hkl |
| 180863 | 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 2/01/95. |
2019578.cif 2019578.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. |
2019578.cif 2019578.hkl |
| 121387 | 2014-08-06 | cif/ Updating files of 2019578 Original log message: Adding full bibliography for 2019578.cif. |
2019578.cif 2019578.hkl |
| 116119 | 2014-06-07 | cif/ hkl/ Adding structures of 2019578 via cif-deposit CGI script. |
2019578.cif 2019578.hkl |
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