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Information card for entry 2233229
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| Coordinates | 2233229.cif |
|---|---|
| Structure factors | 2233229.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(diaquazinc)-μ-3-carboxypyrazine-2-carboxylato- κ^4^<i>N</i>^1^,<i>O</i>^2^;<i>N</i>^4^,<i>O</i>^3^] nitrate] |
|---|---|
| Formula | C6 H7 N3 O9 Zn |
| Calculated formula | C6 H7 N3 O9 Zn |
| SMILES | [Zn]12([n]3c(c(C(=O)O)ncc3)C(O1)=O)([OH2])([OH2])[n]1c(c3C(=O)O[Zn]([n]3cc1)([OH2])[OH2])C(=[O]2)O.O=N(=O)[O-].O=N(=O)[O-] |
| Title of publication | <i>catena</i>-Poly[[(diaquazinc)-μ-3-carboxypyrazine-2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^;<i>N</i>^4^,<i>O</i>^3^] nitrate] |
| Authors of publication | Starosta, Wojciech; Leciejewicz, Janusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m75 |
| a | 8.7431 ± 0.0017 Å |
| b | 10.867 ± 0.002 Å |
| c | 11.412 ± 0.002 Å |
| α | 90° |
| β | 100.48 ± 0.03° |
| γ | 90° |
| Cell volume | 1066.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0515 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (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 2/23/32. |
2233229.cif 2233229.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2233229.cif 2233229.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233229.cif 2233229.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. | 2233229.cif 2233229.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233229.cif 2233229.hkl |
| 32288 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233229 via cif-deposit CGI script. |
2233229.cif |
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Users of the data should acknowledge the original authors of the
structural data.