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Information card for entry 2018840
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| Coordinates | 2018840.cif |
|---|---|
| Structure factors | 2018840.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquatetrakis[1,4-bis(pyridazin-4-yl)benzene-κ<i>N</i>^2^]cadmium(II) hexaiodidodicadmate(II) |
|---|---|
| Formula | C56 H44 Cd3 I6 N16 O2 |
| Calculated formula | C56 H44 Cd3 I6 N16 O2 |
| Title of publication | Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions |
| Authors of publication | Degtyarenko, Anna S.; Domasevitch, Konstantin V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | 219 - 224 |
| a | 8.071 ± 0.0003 Å |
| b | 13.0867 ± 0.0005 Å |
| c | 15.2422 ± 0.0007 Å |
| α | 81.885 ± 0.002° |
| β | 81.742 ± 0.003° |
| γ | 79.87 ± 0.002° |
| Cell volume | 1557.26 ± 0.11 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0557 |
| Weighted residual factors for all reflections included in the refinement | 0.0611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180857 (current) | 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 2/01/88. |
2018840.cif 2018840.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. |
2018840.cif 2018840.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. |
2018840.cif 2018840.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018840.cif 2018840.hkl |
| 78873 | 2013-04-02 | cif/ Adding structures of 2018840, 2018841 via cif-deposit CGI script. |
2018840.cif |
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