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Information card for entry 2237248
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| Coordinates | 2237248.cif |
|---|---|
| Structure factors | 2237248.hkl |
| Original IUCr paper | HTML |
| Common name | caesium 4-amino-3,5,6-trichloropicolinate monohydrate |
|---|---|
| Chemical name | Poly[(μ~6~-4-amino-3,5,6-trichloropyridine-2-carboxylato)aquacaesium] |
| Formula | C6 H4 Cl3 Cs N2 O3 |
| Calculated formula | C6 H4 Cl3 Cs N2 O3 |
| SMILES | c1(N)c(Cl)c(nc(c1Cl)Cl)C(=O)[O-].[Cs+].O |
| Title of publication | Poly[(μ~6~-4-amino-3,5,6-trichloropyridine-2-carboxylato)aquacaesium] |
| Authors of publication | Smith, Graham |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m22 - m23 |
| a | 7.0816 ± 0.0003 Å |
| b | 6.6863 ± 0.0002 Å |
| c | 11.7382 ± 0.0005 Å |
| α | 90° |
| β | 101.005 ± 0.004° |
| γ | 90° |
| Cell volume | 545.58 ± 0.04 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0216 |
| Residual factor for significantly intense reflections | 0.0207 |
| Weighted residual factors for significantly intense reflections | 0.0521 |
| Weighted residual factors for all reflections included in the refinement | 0.0526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181294 (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 2/23/72. |
2237248.cif 2237248.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. |
2237248.cif 2237248.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237248.cif 2237248.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. | 2237248.cif 2237248.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237248.cif 2237248.hkl |
| 73477 | 2013-02-20 | cif/ Adding structures of 2237248 via cif-deposit CGI script. |
2237248.cif |
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Users of the data should acknowledge the original authors of the
structural data.