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Information card for entry 2019775
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| Coordinates | 2019775.cif |
|---|---|
| Structure factors | 2019775.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[{μ~4~-2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-3-yl]butanedioato}zinc(II)] |
|---|---|
| Formula | C12 H9 N3 O4 Zn |
| Calculated formula | C12 H9 N3 O4 Zn |
| Title of publication | A two-dimensional zinc(II) coordination polymer created <i>via in situ</i> ligand synthesis involving C—N bond formation |
| Authors of publication | Cai, Hua; Guo, Ying; Li, Jian-Gang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| a | 9.002 ± 0.002 Å |
| b | 16.553 ± 0.004 Å |
| c | 7.8865 ± 0.0018 Å |
| α | 90° |
| β | 90.212 ± 0.004° |
| γ | 90° |
| Cell volume | 1175.2 ± 0.5 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 | 0.0698 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2019775.cif 2019775.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. |
2019775.cif 2019775.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. |
2019775.cif 2019775.hkl |
| 129510 | 2015-01-11 | cif/ hkl/ Adding structures of 2019775 via cif-deposit CGI script. |
2019775.cif 2019775.hkl |
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Users of the data should acknowledge the original authors of the
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