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Information card for entry 2233722
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| Coordinates | 2233722.cif |
|---|---|
| Structure factors | 2233722.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(1-methyl-1<i>H</i>imidazole-κ<i>N</i>^3^)zinc]- μ-3-nitrophthalato-κ^2^<i>O</i>^1^:<i>O^2^</i>] |
|---|---|
| Formula | C16 H15 N5 O6 Zn |
| Calculated formula | C16 H15 N5 O6 Zn |
| SMILES | [Zn](OC(=O)c1c(N(=O)=O)cccc1C(=O)[O-])([n]1cn(cc1)C)([n]1cn(cc1)C)OC(=O)c1c(C(=O)O[Zn]([n]2cn(cc2)C)[n]2cn(cc2)C)c(N(=O)=O)ccc1 |
| Title of publication | <i>catena</i>-Poly[[bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc]-μ-3-nitrophthalato-κ^2^<i>O</i>^1^:<i>O^2^</i>] |
| Authors of publication | Zhang, Xi-Juan; Guo, Ming-Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m262 - m263 |
| a | 8.375 ± 0.002 Å |
| b | 16.005 ± 0.004 Å |
| c | 14.057 ± 0.004 Å |
| α | 90° |
| β | 102.618 ± 0.004° |
| γ | 90° |
| Cell volume | 1838.7 ± 0.8 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0302 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181259 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/37. |
2233722.cif 2233722.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233722.cif 2233722.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233722.cif 2233722.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. | 2233722.cif 2233722.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233722.cif 2233722.hkl |
| 50966 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233722 via cif-deposit CGI script. |
2233722.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.