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Information card for entry 2238212
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| Coordinates | 2238212.cif |
|---|---|
| Structure factors | 2238212.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)zincate |
|---|---|
| Formula | C22 H38 N2 O6 S10 Zn |
| Calculated formula | C22 H38 N2 O6 S10 Zn |
| Title of publication | <i>N</i>,<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)zincate |
| Authors of publication | Zhang, Xiulan; Xie, Bin; Zou, Like; Wang, Jun; Lin, Xiao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m368 - m369 |
| a | 9.051 ± 0.005 Å |
| b | 13.142 ± 0.007 Å |
| c | 15.321 ± 0.008 Å |
| α | 69.803 ± 0.005° |
| β | 84.566 ± 0.005° |
| γ | 76.909 ± 0.006° |
| Cell volume | 1665.6 ± 1.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0427 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238212.cif 2238212.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. |
2238212.cif 2238212.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. |
2238212.cif 2238212.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238212.cif 2238212.hkl |
| 87465 | 2013-08-27 | cif/ Adding structures of 2238212 via cif-deposit CGI script. |
2238212.cif |
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Users of the data should acknowledge the original authors of the
structural data.