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Information card for entry 2019694
Preview
| Coordinates | 2019694.cif |
|---|---|
| Structure factors | 2019694.hkl |
| Original IUCr paper | HTML |
| Chemical name | poly[di-μ~2~-aqua-{μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-\ κ^2^<i>N</i>^4^:<i>N</i>^4'^}di-μ~3~-terephthalato-\ κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-dicadmium(II)] |
|---|---|
| Formula | C16 H16 Cd N3 O5 |
| Calculated formula | C16 H16 Cd N3 O5 |
| Title of publication | A three-dimensional Cd^II^ coordination framework: poly[di-μ~2~-aqua-{μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}di-μ~3~-terephthalato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-dicadmium(II)] |
| Authors of publication | Shen, Hong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 1025 - 1028 |
| a | 5.335 ± 0.004 Å |
| b | 18.437 ± 0.014 Å |
| c | 16.471 ± 0.012 Å |
| α | 90° |
| β | 90.488 ± 0.01° |
| γ | 90° |
| Cell volume | 1620 ± 2 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| 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. |
2019694.cif 2019694.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. |
2019694.cif 2019694.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. |
2019694.cif 2019694.hkl |
| 128088 | 2014-12-04 | cif/ Updating files of 2019694 Original log message: Adding full bibliography for 2019694.cif. |
2019694.cif 2019694.hkl |
| 125050 | 2014-10-08 | cif/ hkl/ Adding structures of 2019694 via cif-deposit CGI script. |
2019694.cif 2019694.hkl |
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