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Information card for entry 2019805
Preview
| Coordinates | 2019805.cif |
|---|---|
| Structure factors | 2019805.hkl |
| Original IUCr paper | HTML |
| Common name | rubidium (2,4-dichlorophenoxy)acetate hemihydrate |
|---|---|
| Chemical name | Poly[μ-aqua-bis[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^1'^,<i>Cl</i>]dirubidium(I)] |
| Formula | C8 H6 Cl2 O3.5 Rb |
| Calculated formula | C8 H6 Cl2 O3.5 Rb |
| SMILES | c1(c(cc(cc1)Cl)Cl)OCC(=O)[O-].[Rb+].O |
| Title of publication | Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D) |
| Authors of publication | Smith, Graham |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| a | 37.254 ± 0.002 Å |
| b | 4.3589 ± 0.0003 Å |
| c | 13.2378 ± 0.001 Å |
| α | 90° |
| β | 103.231 ± 0.007° |
| γ | 90° |
| Cell volume | 2092.6 ± 0.2 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 5 |
| 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 | 0.0331 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0618 |
| Weighted residual factors for all reflections included in the refinement | 0.0646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198932 (current) | 2017-07-23 | cif/2 Fixing a few Z values and formulae |
2019805.cif 2019805.hkl |
| 181868 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019805.cif 2019805.hkl |
| 180866 | 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 2/01/98. |
2019805.cif 2019805.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. |
2019805.cif 2019805.hkl |
| 130098 | 2015-01-25 | cif/ hkl/ Adding structures of 2019804, 2019805, 2019806 via cif-deposit CGI script. |
2019805.cif 2019805.hkl |
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Users of the data should acknowledge the original authors of the
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