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Information card for entry 2018150
Preview
| Coordinates | 2018150.cif |
|---|---|
| Structure factors | 2018150.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-poly[[bis(pyridine-κ<i>N</i>)zinc(II)]-μ-2-aminobenzene-1,4- dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^] |
|---|---|
| Formula | C18 H15 N3 O4 Zn |
| Calculated formula | C18 H15 N3 O4 Zn |
| SMILES | [Zn]12(OC(=[O]1)c1ccc(c(N)c1)C(=O)[O-])([n]1ccccc1)([n]1ccccc1)[O]=C(O2)c1ccc(cc1N)C1=[O][Zn](O1)([n]1ccccc1)[n]1ccccc1 |
| Title of publication | A chiral interdigitated supramolecular network assembled from single-stranded helical tubes |
| Authors of publication | Han, Lei; Xu, Lan-Ping; Zhao, Wen-Na |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m227 - m229 |
| a | 8.4243 ± 0.0001 Å |
| b | 8.4243 ± 0.0001 Å |
| c | 25.6975 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1823.72 ± 0.07 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.07 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180850 (current) | 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 2/01/81. |
2018150.cif 2018150.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. |
2018150.cif 2018150.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018150.cif 2018150.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018150.cif 2018150.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018150.cif 2018150.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2018150.cif 2018150.hkl |
| 23087 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018150 via cif-deposit CGI script. |
2018150.cif |
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Users of the data should acknowledge the original authors of the
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