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Information card for entry 2236571
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| Coordinates | 2236571.cif |
|---|---|
| Structure factors | 2236571.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[tetraaqua-μ-aqua-bis(μ~4~-pyrimidine-2-\ carboxylato)tetralithium] dichloride] |
|---|---|
| Formula | C10 H16 Cl2 Li4 N4 O9 |
| Calculated formula | C10 H16 Cl2 Li4 N4 O9 |
| SMILES | C(=O)([O-])c1ncccn1.O.[Cl-].[Li+].[Li+].O.O |
| Title of publication | <i>catena</i>-Poly[[tetraaqua-μ-aqua-bis(μ~4~-pyrimidine-2-carboxylato)tetralithium] dichloride] |
| Authors of publication | Starosta, Wojciech; Leciejewicz, Janusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m1369 - m1370 |
| a | 22.084 ± 0.004 Å |
| b | 8.0773 ± 0.0016 Å |
| c | 10.814 ± 0.002 Å |
| α | 90° |
| β | 94.08 ± 0.03° |
| γ | 90° |
| Cell volume | 1924.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181287 (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 2/23/65. |
2236571.cif 2236571.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. |
2236571.cif 2236571.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236571.cif 2236571.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. | 2236571.cif 2236571.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236571.cif 2236571.hkl |
| 70149 | 2012-12-21 | cif/ Adding structures of 2236571 via cif-deposit CGI script. |
2236571.cif |
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Users of the data should acknowledge the original authors of the
structural data.