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Information card for entry 2019566
Preview
| Coordinates | 2019566.cif |
|---|---|
| Structure factors | 2019566.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[bis(3<i>H</i>-imidazol-1-ium) [[tetracyanido-κ^4^<i>C</i>-cobalt(III)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>-[diaqualithium(I)]-κ^2^<i>N</i>:<i>C</i>] |
|---|---|
| Formula | C12 H14 Co Li N10 O2 |
| Calculated formula | C12 H14 Co Li N10 O2 |
| SMILES | C(#N)[Co](C#N)(C#N)(C#N)(C#N)C#N.c1[nH]cc[nH+]1.[Li]([OH2])[OH2].c1[nH]cc[nH+]1 |
| Title of publication | An organic‒inorganic hybrid compound containing imidazolium cations and a one-dimensional lithium hexacyanidocobaltate-based anionic framework |
| Authors of publication | Shao, Xiu-Dan; Yu, Chun-Hua |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| a | 15.581 ± 0.007 Å |
| b | 7.857 ± 0.002 Å |
| c | 16.809 ± 0.008 Å |
| α | 90° |
| β | 113.2 ± 0.03° |
| γ | 90° |
| Cell volume | 1891.4 ± 1.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0349 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.0727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| 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. |
2019566.cif 2019566.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. |
2019566.cif 2019566.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. |
2019566.cif 2019566.hkl |
| 114409 | 2014-05-24 | cif/ hkl/ Adding structures of 2019566 via cif-deposit CGI script. |
2019566.cif 2019566.hkl |
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