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Information card for entry 2232261
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| Coordinates | 2232261.cif |
|---|---|
| Structure factors | 2232261.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2-{[1-(Pyridin-2-yl)ethylidene]aminomethyl}pyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc |
|---|---|
| Formula | C15 H13 N5 S2 Zn |
| Calculated formula | C15 H13 N5 S2 Zn |
| Title of publication | (2-{[1-(Pyridin-2-yl)ethylidene]aminomethyl}pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc |
| Authors of publication | Wang, Chen-Yi; Li, Jing-Fen; Wu, Xiang; Tu, Hai-Yu; Zhu, Pei-Fei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1616 |
| a | 14.272 ± 0.003 Å |
| b | 8.633 ± 0.003 Å |
| c | 15.338 ± 0.003 Å |
| α | 90° |
| β | 110.945 ± 0.002° |
| γ | 90° |
| Cell volume | 1764.9 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (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 2/23/22. |
2232261.cif 2232261.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. |
2232261.cif 2232261.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232261.cif 2232261.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. | 2232261.cif 2232261.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232261.cif 2232261.hkl |
| 30916 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232261 via cif-deposit CGI script. |
2232261.cif |
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Users of the data should acknowledge the original authors of the
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