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Information card for entry 2018234
Preview
| Coordinates | 2018234.cif |
|---|---|
| Structure factors | 2018234.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-5-carboxybenzene-1,3-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(2,2'-bi-1<i>H</i>-imidazole- κ^2^<i>N</i>^3^,<i>N</i>^3'^)zinc] |
|---|---|
| Formula | C30 H20 N8 O12 Zn2 |
| Calculated formula | C30 H20 N8 O12 Zn2 |
| SMILES | c12cc(cc(c2)C(=O)O[Zn]2([n]3c([nH]cc3)c3[n]2cc[nH]3)OC(=O)c2cc(cc(c2)C(=O)O)C(=O)O[Zn]2([n]3c([nH]cc3)c3[n]2cc[nH]3)OC1=O)C(=O)O |
| Title of publication | Bis(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)zinc] |
| Authors of publication | Jiang, Yun-Liang; Liu, Qing-Yan; Wang, Yu-Ling |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m297 - m300 |
| a | 8.0458 ± 0.0004 Å |
| b | 8.0633 ± 0.0004 Å |
| c | 12.2332 ± 0.0007 Å |
| α | 106.526 ± 0.001° |
| β | 97.606 ± 0.001° |
| γ | 93.861 ± 0.001° |
| Cell volume | 749.54 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180851 (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 2/01/82. |
2018234.cif 2018234.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. |
2018234.cif 2018234.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018234.cif 2018234.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. | 2018234.cif 2018234.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2018234.cif 2018234.hkl |
| 27838 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2018234 via cif-deposit CGI script. |
2018234.cif |
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