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Information card for entry 2019598
Preview
| Coordinates | 2019598.cif |
|---|---|
| Structure factors | 2019598.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[[μ-4,4'-(propane-1,3-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>](μ-3,3'-thiodipropionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)cadmium(II)] monohydrate] |
|---|---|
| Formula | C19 H24 Cd N2 O5 S |
| Calculated formula | C19 H22 Cd N2 O5 S |
| Title of publication | A three-dimensional cadmium(II) coordination polymer: poly[[[μ-4,4'-(propane-1,3-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>](μ-3,3'-thiodipropionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)cadmium(II)] monohydrate] |
| Authors of publication | Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | 712 - 714 |
| a | 17.1629 ± 0.0006 Å |
| b | 16.5904 ± 0.0006 Å |
| c | 16.1754 ± 0.0006 Å |
| α | 90° |
| β | 112.75 ± 0.001° |
| γ | 90° |
| Cell volume | 4247.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
2019598.cif 2019598.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. |
2019598.cif 2019598.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. |
2019598.cif 2019598.hkl |
| 121398 | 2014-08-06 | cif/ Updating files of 2019598 Original log message: Adding full bibliography for 2019598.cif. |
2019598.cif 2019598.hkl |
| 117971 | 2014-06-23 | cif/ hkl/ Adding structures of 2019598 via cif-deposit CGI script. |
2019598.cif 2019598.hkl |
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