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Information card for entry 2019570
Preview
| Coordinates | 2019570.cif |
|---|---|
| Structure factors | 2019570.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)potassium(I) iodide |
|---|---|
| Formula | C12 H30 I K N6 O6 |
| Calculated formula | C12 H30 I K N6 O6 |
| SMILES | C1(C(N)C(C(C(C1N)[OH]1)N)[OH]2)[OH][K]1234[OH]C1C(C(C(C(C1N)[OH]3)N)[OH]4)N.[I-] |
| Title of publication | Formation of lithium, sodium and potassium complexes with 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol (taci) |
| Authors of publication | Neis, Christian; Kradolfer, Thomas; Hegetschweiler, Kaspar |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | 632 - 637 |
| a | 10.9149 ± 0.0004 Å |
| b | 10.9149 ± 0.0004 Å |
| c | 15.4297 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1591.94 ± 0.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.011 |
| Residual factor for significantly intense reflections | 0.011 |
| Weighted residual factors for significantly intense reflections | 0.0304 |
| Weighted residual factors for all reflections included in the refinement | 0.0304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| 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. |
2019570.cif 2019570.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. |
2019570.cif 2019570.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. |
2019570.cif 2019570.hkl |
| 119351 | 2014-07-05 | cif/ Updating files of 2019570, 2019571, 2019572 Original log message: Adding full bibliography for 2019570--2019572.cif. |
2019570.cif 2019570.hkl |
| 114582 | 2014-05-28 | cif/ hkl/ Adding structures of 2019570, 2019571, 2019572 via cif-deposit CGI script. |
2019570.cif 2019570.hkl |
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