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Information card for entry 2240335
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| Coordinates | 2240335.cif |
|---|---|
| Structure factors | 2240335.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqualithium(I)]-μ-pyrimidine-2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>N</i>^3^,<i>O</i>^2'^] hemihydrate] |
|---|---|
| Formula | C5 H6 Li N2 O3.5 |
| Calculated formula | C5 H6 Li N2 O3.5 |
| Title of publication | Crystal structure of <i>catena</i>-poly[[[aqualithium(I)]-μ-pyrimidine-2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>N</i>^3^,<i>O</i>^2'^] hemihydrate] |
| Authors of publication | Starosta, Wojciech; Leciejewicz, Janusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 76 - 78 |
| a | 10.4965 ± 0.0005 Å |
| b | 12.8118 ± 0.0006 Å |
| c | 10.881 ± 0.0004 Å |
| α | 90° |
| β | 107.771 ± 0.005° |
| γ | 90° |
| Cell volume | 1393.45 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0841 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1527 |
| Weighted residual factors for all reflections included in the refinement | 0.1773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240335.cif 2240335.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240335.cif 2240335.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240335.cif 2240335.hkl |
| 128885 | 2014-12-21 | cif/ hkl/ Adding structures of 2240335 via cif-deposit CGI script. |
2240335.cif 2240335.hkl |
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Users of the data should acknowledge the original authors of the
structural data.