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Information card for entry 2019906
Preview
| Coordinates | 2019906.cif |
|---|---|
| Structure factors | 2019906.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis({1-[(1<i>H</i>-benzoimidazol-2-yl-\ κ<i>N</i>^3^)methyl]-1<i>H</i>-tetrazole}zinc(II))-bis(μ~4~-pentane-1,5-\ dioato-1:2:1':2'κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^5^:<i>O</i>^5'^)] methanol disolvate] |
|---|---|
| Formula | C15 H18 N6 O5 Zn |
| Calculated formula | C15 H18 N6 O5 Zn |
| SMILES | [Zn]123([n]4c5ccccc5[nH]c4Cn4nnnc4)[O]=C(CCCC(=O)[O-])O[Zn]4([O]=C(O3)CCCC(=O)[O-])([n]3c5ccccc5[nH]c3Cn3nnnc3)[O]=C(O1)CCCC1=[O][Zn]([n]3c5ccccc5[nH]c3Cn3nnnc3)OC(CCCC(O4)=[O]2)=[O][Zn](O1)[n]1c2ccccc2[nH]c1Cn1nnnc1.OC.OC.OC.OC |
| Title of publication | A one-dimensional zinc(II) coordination polymer based on mixed multidentate <i>N</i>- and <i>O</i>-donor ligands |
| Authors of publication | Huang, Qiu-Ying; Zhang, Yu-Hong; Meng, Xiang-Ru |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| a | 8.0054 ± 0.0016 Å |
| b | 9.972 ± 0.002 Å |
| c | 11.451 ± 0.002 Å |
| α | 80.91 ± 0.03° |
| β | 71.17 ± 0.03° |
| γ | 81.95 ± 0.03° |
| Cell volume | 850.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019906.cif 2019906.hkl |
| 180867 | 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 2/01/99. |
2019906.cif 2019906.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. |
2019906.cif 2019906.hkl |
| 134223 | 2015-03-21 | cif/ hkl/ Adding structures of 2019906 via cif-deposit CGI script. |
2019906.cif 2019906.hkl |
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Users of the data should acknowledge the original authors of the
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