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Information card for entry 2019896
Preview
| Coordinates | 2019896.cif |
|---|---|
| Structure factors | 2019896.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[(μ~2~-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)(hydroxido-κ<i>O</i>)(μ~4~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^5^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^:<i>N</i>^5^)(μ~3~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^4^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^:<i>N</i>^4^:<i>N</i>^5^)dicadmium(II)] 0.75-hydrate] |
|---|---|
| Formula | C16 H15.5 Cd2 N12 O5.75 |
| Calculated formula | C16 H14 Cd2 N12 O5.75 |
| Title of publication | A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains |
| Authors of publication | Shi, Wei; Liu, Jian-Jun; Ou, Xiang-Ping; Huang, Chang-Cang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| a | 13.3384 ± 0.0019 Å |
| b | 13.3384 ± 0.0019 Å |
| c | 24.957 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3845.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019896.cif 2019896.hkl |
| 180866 | 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 2/01/98. |
2019896.cif 2019896.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. |
2019896.cif 2019896.hkl |
| 133931 | 2015-03-15 | cif/ hkl/ Adding structures of 2019896 via cif-deposit CGI script. |
2019896.cif 2019896.hkl |
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Users of the data should acknowledge the original authors of the
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