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Information card for entry 2239603
Preview
| Coordinates | 2239603.cif |
|---|---|
| Structure factors | 2239603.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | <i>catena</i>-Poly[[lithium-μ~2~-(dihydrogen pyrazine-2,3,5,6-tetracarboxylato)-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^-lithium-di-μ-aqua-κ^4^<i>O</i>:<i>O</i>] 2.5-hydrate] |
|---|---|
| Formula | C8 H11 Li2 N2 O12.5 |
| Calculated formula | C8 H11 Li2 N2 O12.5 |
| Title of publication | <i>catena</i>-Poly[[lithium-μ~2~-(dihydrogen pyrazine-2,3,5,6-tetracarboxylato)-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^-lithium-di-μ-aqua-κ^4^<i>O</i>:<i>O</i>] 2.5-hydrate] |
| Authors of publication | Starosta, Wojciech; Leciejewicz, Janusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m234 - m235 |
| a | 12.0554 ± 0.0003 Å |
| b | 6.3904 ± 0.00017 Å |
| c | 19.3383 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1489.8 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239603.cif 2239603.hkl |
| 181896 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239603.cif 2239603.hkl |
| 181315 | 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 2/23/96. |
2239603.cif 2239603.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. |
2239603.cif 2239603.hkl |
| 114423 | 2014-05-24 | cif/ hkl/ Adding structures of 2239603 via cif-deposit CGI script. |
2239603.cif 2239603.hkl |
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Users of the data should acknowledge the original authors of the
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