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Information card for entry 2019761
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| Coordinates | 2019761.cif |
|---|---|
| Structure factors | 2019761.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-[(<i>E</i>)-2-(Pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridocobaltate(II) |
|---|---|
| Formula | C12 H12 Cl4 Co N2 |
| Calculated formula | C12 H12 Cl4 Co N2 |
| SMILES | [Co](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(cc1)/C=C/c1[nH+]cccc1 |
| Title of publication | Two novel organic‒inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(<i>E</i>)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium |
| Authors of publication | Campos-Gaxiola, José J.; Arredondo Rea, Susana P.; Corral Higuera, Ramón; Höpfl, Herbert; Cruz Enríquez, Adriana |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| a | 7.6971 ± 0.0011 Å |
| b | 12.4656 ± 0.0018 Å |
| c | 15.915 ± 0.002 Å |
| α | 90° |
| β | 102.171 ± 0.002° |
| γ | 90° |
| Cell volume | 1492.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0224 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.0491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019761.cif 2019761.hkl |
| 180865 | 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 2/01/97. |
2019761.cif 2019761.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. |
2019761.cif 2019761.hkl |
| 128513 | 2014-12-11 | cif/ hkl/ Adding structures of 2019761, 2019762 via cif-deposit CGI script. |
2019761.cif 2019761.hkl |
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