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Information card for entry 2019623
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| Coordinates | 2019623.cif |
|---|---|
| Structure factors | 2019623.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[aqua(μ~4~-5-carboxylato-1-carboxylatomethyl-2-oxidopyridinium)zinc(II)] |
|---|---|
| Formula | C8 H7 N O6 Zn |
| Calculated formula | C8 H7 N O6 Zn |
| Title of publication | A three-dimensional zinc-based coordination polymer built from 5-carboxylato-1-carboxylatomethyl-2-oxidopyridinium with a 4-connected <b>sra</b> topology |
| Authors of publication | Ma, De-Yun; Zheng, Jing; Cao, Jie-Qiong; Lin, Xu-Min; Ling, You-Biao |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| a | 16.9663 ± 0.0013 Å |
| b | 10.8788 ± 0.0008 Å |
| c | 4.9606 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 915.59 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.0641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019623.cif 2019623.hkl |
| 180864 | 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 2/01/96. |
2019623.cif 2019623.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. |
2019623.cif 2019623.hkl |
| 120967 | 2014-07-31 | cif/ hkl/ Adding structures of 2019623 via cif-deposit CGI script. |
2019623.cif 2019623.hkl |
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Users of the data should acknowledge the original authors of the
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