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Information card for entry 2239992
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| Coordinates | 2239992.cif |
|---|---|
| Structure factors | 2239992.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[potassium-tri-μ-dimethylacetamide-κ^6^<i>O</i>:<i>O</i>] iodide] |
|---|---|
| Formula | C12 H27 I K N3 O3 |
| Calculated formula | C12 H27 I K N3 O3 |
| SMILES | [K+].[I-].CC(=O)N(C)C.CC(=O)N(C)C.CC(=O)N(C)C |
| Title of publication | Crystal structure of <i>catena</i>-poly[[potassium-tri-μ-dimethylacetamide-κ^6^<i>O</i>:<i>O</i>] iodide] |
| Authors of publication | Comanescu, Cezar-Catalin; Oliver, Allen G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 196 - 198 |
| a | 11.9776 ± 0.0008 Å |
| b | 11.9776 ± 0.0008 Å |
| c | 7.3455 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 912.62 ± 0.12 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.0252 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections included in the refinement | 0.0594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181899 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/99. |
2239992.cif 2239992.hkl |
| 181318 | 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 2/23/99. |
2239992.cif 2239992.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2239992.cif 2239992.hkl |
| 123954 | 2014-09-18 | cif/ hkl/ Adding structures of 2239992 via cif-deposit CGI script. |
2239992.cif 2239992.hkl |
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Users of the data should acknowledge the original authors of the
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