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Information card for entry 2019564
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| Coordinates | 2019564.cif |
|---|---|
| Structure factors | 2019564.hkl |
| Original IUCr paper | HTML |
| Common name | caesium (2,4-dichlorophenoxy)acetate-(2,4-dichlorophenoxy)acetic acid |
|---|---|
| Chemical name | Poly[[μ~7~-(2,4-dichlorophenoxy)acetato][(2,4-dichlorphenoxy)acetic acid]caesium] |
| Formula | C16 H11 Cl4 Cs O6 |
| Calculated formula | C16 H11 Cl4 Cs O6 |
| SMILES | c1(c(cc(cc1)Cl)Cl)OCC(=O)O.c1(c(cc(cc1)Cl)Cl)OCC(=O)[O-].[Cs+] |
| 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 | 4.8756 ± 0.0004 Å |
| b | 7.1876 ± 0.0004 Å |
| c | 15.3045 ± 0.001 Å |
| α | 96.223 ± 0.005° |
| β | 94.561 ± 0.006° |
| γ | 106.45 ± 0.006° |
| Cell volume | 507.92 ± 0.06 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
2019564.cif 2019564.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. |
2019564.cif 2019564.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. |
2019564.cif 2019564.hkl |
| 119346 | 2014-07-05 | cif/ Updating files of 2019562, 2019563, 2019564 Original log message: Adding full bibliography for 2019562--2019564.cif. |
2019564.cif 2019564.hkl |
| 114407 | 2014-05-24 | cif/ hkl/ Adding structures of 2019562, 2019563, 2019564 via cif-deposit CGI script. |
2019564.cif 2019564.hkl |
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Users of the data should acknowledge the original authors of the
structural data.