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Information card for entry 2236173
Preview
| Coordinates | 2236173.cif |
|---|---|
| Structure factors | 2236173.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[bis(thiocyanato-κ<i>N</i>)zinc]bis[μ-1,3,5- tris(1<i>H</i>-1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]] monohydrate] |
|---|---|
| Formula | C32 H32 N20 O S2 Zn |
| Calculated formula | C32 H32 N20 O S2 Zn |
| Title of publication | <i>catena</i>-Poly[[[bis(thiocyanato-κ<i>N</i>)zinc]bis[μ-1,3,5-tris(1<i>H</i>-1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]] monohydrate] |
| Authors of publication | Li, Qing-Xia; Shi, Xian-Ju; Chen, Lai-Cheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1299 |
| a | 8.5766 ± 0.0017 Å |
| b | 9.5036 ± 0.0019 Å |
| c | 11.723 ± 0.002 Å |
| α | 80.01 ± 0.03° |
| β | 85.4 ± 0.03° |
| γ | 89.55 ± 0.03° |
| Cell volume | 938 ± 0.3 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181283 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/61. |
2236173.cif 2236173.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236173.cif 2236173.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236173.cif 2236173.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236173.cif 2236173.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236173.cif 2236173.hkl |
| 69718 | 2012-12-21 | cif/ Adding structures of 2236173 via cif-deposit CGI script. |
2236173.cif |
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Users of the data should acknowledge the original authors of the
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