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Information card for entry 2019013
Preview
| Coordinates | 2019013.cif |
|---|---|
| Structure factors | 2019013.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate] |
|---|---|
| Formula | C18 H28 Co N14 O2 S2 |
| Calculated formula | C18 H28 Co N14 O2 S2 |
| Title of publication | Magnetic investigations of a two-dimensional coordination polymer with a three-dimensional supramolecular framework: poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate] |
| Authors of publication | Tao, Jian-Qing; Mao, Dan; Wang, Jun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | 597 - 600 |
| a | 7.7131 ± 0.0011 Å |
| b | 9.26 ± 0.0013 Å |
| c | 10.2716 ± 0.0015 Å |
| α | 113.988 ± 0.002° |
| β | 91.893 ± 0.003° |
| γ | 94.895 ± 0.002° |
| Cell volume | 665.97 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0505 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1211 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (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 2/01/90. |
2019013.cif 2019013.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. |
2019013.cif 2019013.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. |
2019013.cif 2019013.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019013.cif 2019013.hkl |
| 86798 | 2013-07-11 | cif/ Adding structures of 2019013 via cif-deposit CGI script. |
2019013.cif |
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Users of the data should acknowledge the original authors of the
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