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Information card for entry 2019563
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| Coordinates | 2019563.cif |
|---|---|
| Structure factors | 2019563.hkl |
| Original IUCr paper | HTML |
| Common name | caesium (3-chloro-2-methylphenoxy)acetate monohydrate |
|---|---|
| Chemical name | Poly[aqua[μ~5~-(3-chloro-2-methylphenoxy)acetato]caesium] |
| Formula | C9 H10 Cl Cs O4 |
| Calculated formula | C9 H10 Cl Cs O4 |
| SMILES | [Cs+].Clc1c(c(OCC(=O)[O-])ccc1)C.O |
| Title of publication | Two-dimensional coordination polymeric structures in caesium complexes with ring-substituted phenoxyacetic acids |
| Authors of publication | Smith, Graham; Lynch, Daniel E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | 606 - 612 |
| a | 18.1357 ± 0.0007 Å |
| b | 8.8722 ± 0.0004 Å |
| c | 7.0958 ± 0.0003 Å |
| α | 90° |
| β | 94.158 ± 0.004° |
| γ | 90° |
| Cell volume | 1138.73 ± 0.08 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0235 |
| Residual factor for significantly intense reflections | 0.0203 |
| Weighted residual factors for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.0475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019563.cif 2019563.hkl |
| 180863 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/95. |
2019563.cif 2019563.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019563.cif 2019563.hkl |
| 119346 | 2014-07-05 | cif/ Updating files of 2019562, 2019563, 2019564 Original log message: Adding full bibliography for 2019562--2019564.cif. |
2019563.cif 2019563.hkl |
| 114407 | 2014-05-24 | cif/ hkl/ Adding structures of 2019562, 2019563, 2019564 via cif-deposit CGI script. |
2019563.cif 2019563.hkl |
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Users of the data should acknowledge the original authors of the
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