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Information card for entry 2019741
Preview
| Coordinates | 2019741.cif |
|---|---|
| Structure factors | 2019741.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[aqua[1,3-bis(pyridine-3-ylmethoxy)benzene-κ<i>N</i>]zinc(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] |
|---|---|
| Formula | C26 H22 N2 O7 Zn |
| Calculated formula | C26 H22 N2 O7 Zn |
| SMILES | [Zn]([n]1cccc(c1)COc1cccc(c1)OCc1cnccc1)(OC(=O)c1ccc(cc1)C(=O)[O-])([OH2])OC(=O)c1ccc(C(=O)O[Zn]([OH2])[n]2cccc(c2)COc2cccc(c2)OCc2cnccc2)cc1 |
| Title of publication | A helical zinc(II) coordination polymer assembled from 1,3-bis[(pyridin-3-yl)methoxy]benzene and benzene-1,4-dicarboxylic acid |
| Authors of publication | Yu, Cai-Xia; Ma, Feng-Ji; Liu, Lei-Lei; Liu, Cong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 1178 - 1180 |
| a | 6.0706 ± 0.0012 Å |
| b | 17.914 ± 0.004 Å |
| c | 21.75 ± 0.004 Å |
| α | 90° |
| β | 93.54 ± 0.03° |
| γ | 90° |
| Cell volume | 2360.8 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction 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 all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
2019741.cif 2019741.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. |
2019741.cif 2019741.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. |
2019741.cif 2019741.hkl |
| 127940 | 2014-11-28 | cif/ hkl/ Adding structures of 2019741 via cif-deposit CGI script. |
2019741.cif 2019741.hkl |
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