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Information card for entry 2238284
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| Coordinates | 2238284.cif |
|---|---|
| Structure factors | 2238284.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[μ~2~-aqua-μ~4~-[1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dionato]-potassium] |
|---|---|
| Formula | C10 H7 Cl F3 K O3 |
| Calculated formula | C10 H7 Cl F3 K O3 |
| SMILES | [K+].Clc1ccc(C(=O)C=C([O-])C(F)(F)F)cc1.O |
| Title of publication | Poly[μ~2~-aqua-μ~4~-[1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dionato]-potassium] |
| Authors of publication | Martins, João P.; Arranja, Cláudia C.; Sobral, Abílio J. F. N.; Ramos Silva, Manuela |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m422 - m423 |
| a | 30.164 ± 0.002 Å |
| b | 8.0739 ± 0.0004 Å |
| c | 10.2696 ± 0.0005 Å |
| α | 90° |
| β | 98.752 ± 0.002° |
| γ | 90° |
| Cell volume | 2471.9 ± 0.2 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 | 0.0593 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238284.cif 2238284.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. |
2238284.cif 2238284.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238284.cif 2238284.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238284.cif 2238284.hkl |
| 87545 | 2013-08-27 | cif/ Adding structures of 2238284 via cif-deposit CGI script. |
2238284.cif |
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Users of the data should acknowledge the original authors of the
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