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Information card for entry 2232823
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| Coordinates | 2232823.cif |
|---|---|
| Structure factors | 2232823.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(6-carboxypyrazine-2-carboxylato)lithium]-μ-aqua] |
|---|---|
| Formula | C6 H5 Li N2 O5 |
| Calculated formula | C6 H5 Li N2 O5 |
| SMILES | [Li]12(OC(=O)c3[n]1c(cnc3)C(=[O]2)O)[OH2][Li]12(OC(=O)c3[n]1c(cnc3)C(=[O]2)O)[OH2] |
| Title of publication | <i>catena</i>-Poly[[(6-carboxypyrazine-2-carboxylato)lithium]-μ-aqua] |
| Authors of publication | Starosta, Wojciech; Leciejewicz, Janusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1708 - m1709 |
| a | 3.5346 ± 0.0007 Å |
| b | 12.519 ± 0.003 Å |
| c | 8.3583 ± 0.0017 Å |
| α | 90° |
| β | 97.86 ± 0.03° |
| γ | 90° |
| Cell volume | 366.38 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.088 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1488 |
| Weighted residual factors for all reflections included in the refinement | 0.1705 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181250 (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 2/23/28. |
2232823.cif 2232823.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. |
2232823.cif 2232823.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232823.cif 2232823.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. | 2232823.cif 2232823.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232823.cif 2232823.hkl |
| 31702 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232823 via cif-deposit CGI script. |
2232823.cif |
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Users of the data should acknowledge the original authors of the
structural data.