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Information card for entry 2233612
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| Coordinates | 2233612.cif |
|---|---|
| Structure factors | 2233612.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-4-(2-oxidobenzylidene)thiosemicarbazidato- κ^4^<i>S</i>,<i>N</i>^1^,<i>O</i>:<i>O</i>]bis[(pyridine-κ<i>N</i>)zinc] |
|---|---|
| Formula | C26 H24 N8 O2 S2 Zn2 |
| Calculated formula | C26 H24 N8 O2 S2 Zn2 |
| SMILES | [Zn]123([O]([Zn]45([O]3c3ccccc3C=[N]4N=C(S5)N)[n]3ccccc3)c3ccccc3C=[N]1N=C(S2)N)[n]1ccccc1 |
| Title of publication | Bis[μ-4-(2-oxidobenzylidene)thiosemicarbazidato-κ^4^<i>S</i>,<i>N</i>^1^,<i>O</i>:<i>O</i>]bis[(pyridine-κ<i>N</i>)zinc] |
| Authors of publication | Takjoo, Reza; Dutkiewicz, Grzegorz; Ahmadi, Mehdi; Kubicki, Maciej |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m106 - m107 |
| a | 10.2641 ± 0.0003 Å |
| b | 17.316 ± 0.0006 Å |
| c | 16.6473 ± 0.0005 Å |
| α | 90° |
| β | 104.706 ± 0.003° |
| γ | 90° |
| Cell volume | 2861.85 ± 0.16 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181258 (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 2/23/36. |
2233612.cif 2233612.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. |
2233612.cif 2233612.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233612.cif 2233612.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. | 2233612.cif 2233612.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233612.cif 2233612.hkl |
| 38416 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233612 via cif-deposit CGI script. |
2233612.cif |
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Users of the data should acknowledge the original authors of the
structural data.