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Information card for entry 2228081
Preview
| Coordinates | 2228081.cif |
|---|---|
| Structure factors | 2228081.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>- 1,2,4-triazole}sulfatozinc(II) dihydrate |
|---|---|
| Formula | C9 H20 N6 O10 S Zn |
| Calculated formula | C9 H20 N6 O10 S Zn |
| Title of publication | Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole}sulfatozinc(II) dihydrate |
| Authors of publication | Wang, Yan-Zhi; Li, Xiao-Kun; Yang, Huai-Xia; Zhou, Wan; Meng, Xiang-Ru |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1483 |
| a | 7.5439 ± 0.0015 Å |
| b | 7.9573 ± 0.0016 Å |
| c | 16.151 ± 0.003 Å |
| α | 99.6 ± 0.03° |
| β | 92.16 ± 0.03° |
| γ | 112.24 ± 0.03° |
| Cell volume | 879.4 ± 0.4 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 | 0.0317 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/80. |
2228081.cif 2228081.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228081.cif 2228081.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228081.cif 2228081.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. | 2228081.cif 2228081.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228081.cif 2228081.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228081.cif 2228081.hkl |
| 5118 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228081 via cif-deposit CGI script. |
2228081.cif |
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Users of the data should acknowledge the original authors of the
structural data.