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Information card for entry 2239301
Preview
| Coordinates | 2239301.cif |
|---|---|
| Structure factors | 2239301.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (μ-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^)bis(diaqualithium) monohydrate |
|---|---|
| Formula | C8 H12 Li2 N2 O13 |
| Calculated formula | C8 H12 Li2 N2 O13 |
| Title of publication | (μ-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^)bis(diaqualithium) monohydrate |
| Authors of publication | Starosta, Wojciech; Leciejewicz, Janusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | m172 |
| a | 6.3807 ± 0.0004 Å |
| b | 9.8331 ± 0.0006 Å |
| c | 22.1717 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1391.1 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239301.cif 2239301.hkl |
| 181312 | 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 2/23/93. |
2239301.cif 2239301.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. |
2239301.cif 2239301.hkl |
| 109242 | 2014-04-10 | cif/ hkl/ Adding structures of 2239301 via cif-deposit CGI script. |
2239301.cif 2239301.hkl |
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